TDC.AMES Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.AMES | % | 7,255 | Binary | AUROC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUROC |
|---|---|---|---|---|---|
| 1 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.776 ± 0.015 |
| 2 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.794 ± 0.008 |
| 3 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.823 ± 0.011 |
: The higher the better.