TDC.BBB_Martins Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.BBB_Martins | % | 1,975 | Binary | AUROC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUROC |
|---|---|---|---|---|---|
| 1 | XGBoost | Hao Tian | GitHub, Paper | 29 | 0.907 ± 0.002 |
| 2 | SimGCN | Suman Kalyan Bera | GitHub, Paper | 1,103,000 | 0.901 ± 0.007 |
| 3 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.897 ± 0.004 |
| 4 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.892 ± 0.012 |
| 5 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.889 ± 0.016 |
| 6 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.855 ± 0.011 |
| 7 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.842 ± 0.016 |
| 8 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.836 ± 0.009 |
| 9 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.823 ± 0.015 |
| 10 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.781 ± 0.030 |
: The higher the better.