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 | XGBoost | Hao Tian | GitHub, Paper | 29 | 0.859 ± 0.000 |
| 2 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.842 ± 0.008 |
| 3 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.837 ± 0.009 |
| 4 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.823 ± 0.006 |
| 5 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.823 ± 0.011 |
| 6 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.818 ± 0.010 |
| 7 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.814 ± 0.008 |
| 8 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.794 ± 0.008 |
| 9 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.776 ± 0.015 |
: The higher the better.