| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| Tox21 NR-AR-LBD 3.5% prevalence | DQS0.401 | 13 | 1mo ago | ||
| DUD-E | S-MolSearch | AUROC0.9256 | 12 | 1mo ago | |
| HIV | DQS0.836 | 11 | 1mo ago | ||
| LIT-PCBA (test) | AUROC60.93 | 9 | 1mo ago | ||
| MoleculeNet HIV (test) | BSDS (B/N=0.01)0.953 | 8 | 1mo ago | ||
| LIT-PCBA | AUROC0.6093 | 7 | 1mo ago | ||
| DUD-E 10 diverse targets | 1-NN Tanimoto | Mean AUC99.1 | 6 | 9d ago | |
| Ames (Leave-one-out cluster) | EXPLOR | AUPRC (R<0.2)95.52 | 6 | 24d ago | |
| CYP2D6 (Leave-one-out cluster) | EXPLOR | AUPRC (R<0.2)79.66 | 6 | 24d ago | |
| A549 Cells (Leave-one-out cluster) | EXPLOR | AUPRC (R<0.2)91.22 | 6 | 24d ago | |
| hERG (Leave-one-out cluster) | EXPLOR | AUPRC@R<0.293.98 | 6 | 24d ago | |
| DUD-E (test) | AUROC76.7 | 6 | 1mo ago |
