TDC.CYP2D6_Substrate_CarbonMangels Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.CYP2D6_Substrate_CarbonMangels | % | 664 | Binary | AUPRC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUPRC |
|---|---|---|---|---|---|
| 1 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.485 ± 0.037 |
| 2 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.671 ± 0.066 |
| 3 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.677 ± 0.047 |
: The higher the better.