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 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.821 ± 0.003 |
| 2 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.827 ± 0.009 |
| 3 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.829 ± 0.007 |
: The lower the better.