| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| LIT-PCBA Corrected canonical SMILES (Entire set) | GeoDiff PED | EF1% (Mean ± SD)14.7 | 96 | 1mo ago | |
| 100 Proteins | TabM | Median Percent Lift (Avg Top-10)32 | 45 | 26d ago | |
| DUD-E | S-MolSearch | AUROC0.9256 | 22 | 1mo ago | |
| LIT-PCBA (test) | AUROC60.93 | 17 | 1mo ago | ||
| LIT-PCBA | AUROC0.6093 | 16 | 1mo ago | ||
| Tox21 NR-AR-LBD 3.5% prevalence | DQS0.401 | 13 | 2mo ago | ||
| HIV | DQS0.836 | 11 | 2mo ago | ||
| MoleculeNet HIV (test) | BSDS (B/N=0.01)0.953 | 8 | 2mo ago | ||
| DUD-E 10 diverse targets | 1-NN Tanimoto | Mean AUC99.1 | 6 | 1mo ago | |
| Ames (Leave-one-out cluster) | EXPLOR | AUPRC (R<0.2)95.52 | 6 | 2mo ago | |
| CYP2D6 (Leave-one-out cluster) | EXPLOR | AUPRC (R<0.2)79.66 | 6 | 2mo ago | |
| A549 Cells (Leave-one-out cluster) | EXPLOR | AUPRC (R<0.2)91.22 | 6 | 2mo ago | |
| hERG (Leave-one-out cluster) | EXPLOR | AUPRC@R<0.293.98 | 6 | 2mo ago | |
| DUD-E (test) | AUROC76.7 | 6 | 3mo ago | ||
| JACS Merck | h-MINT | R^20.216 | 2 | 1mo ago | |
| DEKOIS | h-MINT | AUC81.05 | 2 | 1mo ago |
