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 | ZairaChem | Gemma Turon | Github, Paper | N/A | 0.925 ± 0.005 |
| 2 | ChemFM | Feiyang Cai | Github, Paper | 13M | 0.92 ± 0.012 |
| 3 | CFA | Nan Jiang | Github, Paper | N/A | 0.919 ± 0.014 |
| 4 | AttrMasking | Kexin Huang | Github, Paper | 2,067,053 | 0.919 ± 0.008 |
| 5 | MapLight + GNN | Jim Notwell | Github, Paper | N/A | 0.917 ± 0.005 |
| 6 | SimGCN | Suman Kalyan Bera | Github, Paper | 1,103,000 | 0.909 ± 0.011 |
| 7 | Chemprop | Kyle Swanson | Github, Paper | N/A | 0.899 ± 0.008 |
| 8 | MapLight | Jim Notwell | Github, Paper | N/A | 0.887 ± 0.006 |
| 9 | Chemprop-RDKit | Kyle Swanson | Github, Paper | N/A | 0.887 ± 0.011 |
| 10 | AttentiveFP | Kexin Huang | Github, Paper | 300,806 | 0.886 ± 0.015 |
| 11 | DeepMol (AutoML) | DeepMol Team | Github, Paper | N/A | 0.885 ± 0.014 |
| 12 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | Github, Paper | 633,409 | 0.875 ± 0.019 |