TDC.CYP3A4_Veith
Leaderboard
Dataset Summary
Dataset | Unit | Size | Task | Metric | Dataset Split |
---|---|---|---|---|---|
TDC.CYP3A4_Veith | % | 12,328 | Binary | AUPRC | Scaffold |
Leaderboard
Rank | Model | Contact | Link | #Params | AUPRC |
---|---|---|---|---|---|
1 | BaseBoosting | Andrew Li | GitHub, Paper | 40 | 0.882 ± 0.001 |
2 | XGBoost | Hao Tian | GitHub, Paper | 29 | 0.877 ± 0.002 |
3 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.851 ± 0.006 |
4 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.849 ± 0.004 |
5 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.840 ± 0.010 |
6 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.829 ± 0.007 |
7 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.827 ± 0.009 |
8 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.821 ± 0.003 |
: The lower the better.