TDC.HIA_Hou Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.HIA_Hou | % | 578 | Binary | AUROC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUROC |
|---|---|---|---|---|---|
| 1 | XGBoost | Hao Tian | GitHub, Paper | 29 | 0.988 ± 0.002 |
| 2 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.978 ± 0.006 |
| 3 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.975 ± 0.004 |
| 4 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.974 ± 0.007 |
| 5 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.972 ± 0.008 |
| 6 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.943 ± 0.014 |
| 7 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.936 ± 0.024 |
| 8 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.869 ± 0.026 |
| 9 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.807 ± 0.072 |
: The higher the better.