TDC.DILI
Leaderboard
Dataset Summary
Dataset | Unit | Size | Task | Metric | Dataset Split |
---|---|---|---|---|---|
TDC.DILI | % | 475 | Binary | AUROC | Scaffold |
Leaderboard
Rank | Model | Contact | Link | #Params | AUROC |
---|---|---|---|---|---|
1 | XGBoost | Hao Tian | GitHub, Paper | 29 | 0.925 ± 0.012 |
2 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.919 ± 0.008 |
3 | SimGCN | Suman Kalyan Bera | GitHub, Paper | 1,103,000 | 0.909 ± 0.011 |
4 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.886 ± 0.015 |
5 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.875 ± 0.019 |
6 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.861 ± 0.018 |
7 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.859 ± 0.033 |
8 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.851 ± 0.026 |
9 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.832 ± 0.021 |
10 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.792 ± 0.016 |
: The higher the better.