TDC.CYP2C9_Veith Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.CYP2C9_Veith | % | 12,092 | Binary | AUPRC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUPRC |
|---|---|---|---|---|---|
| 1 | XGBoost | Hao Tian | GitHub, Paper | 29 | 0.769 ± 0.000 |
| 2 | ColorRefinement + Weighted Ensemble LGBM | Parker Burchett | GitHub | 68 | 0.767 ± 0.003 |
| 3 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.749 ± 0.004 |
| 4 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.742 ± 0.006 |
| 5 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.739 ± 0.010 |
| 6 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.735 ± 0.004 |
| 7 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.715 ± 0.004 |
| 8 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.713 ± 0.006 |
: The higher the better.