TDC.CYP2C9_Substrate_CarbonMangels Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.CYP2C9_Substrate_CarbonMangels | % | 666 | Binary | AUPRC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUPRC |
|---|---|---|---|---|---|
| 1 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.360 ± 0.040 |
| 2 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.367 ± 0.059 |
| 3 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.380 ± 0.015 |
: The higher the better.