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 | 0.794 ± 0.004 |
2 | BaseBoosting | Andrew Li | GitHub, Paper | 27 | 0.791 ± 0.005 |
3 | ColorRefinement + Weighted Ensemble LGBM | Parker Burchett | GitHub, Paper | 68 | 0.767 ± 0.003 |
4 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.749 ± 0.004 |
5 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.742 ± 0.006 |
6 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.739 ± 0.010 |
7 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.735 ± 0.004 |
8 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.715 ± 0.004 |
9 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.713 ± 0.006 |
: The higher the better.