TDC.hERG Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.hERG | % | 648 | Binary | AUROC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUROC |
|---|---|---|---|---|---|
| 1 | MapLight + GNN | Jim Notwell | Github, Paper | N/A | 0.88 ± 0.002 |
| 2 | CFA | Nan Jiang | Github, Paper | N/A | 0.875 ± 0.014 |
| 3 | SimGCN | Suman Kalyan Bera | Github, Paper | 1,103,000 | 0.874 ± 0.014 |
| 4 | MapLight | Jim Notwell | Github, Paper | N/A | 0.871 ± 0.004 |
| 5 | ZairaChem | Gemma Turon | Github, Paper | N/A | 0.856 ± 0.009 |
| 6 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | Github, Paper | 633,409 | 0.841 ± 0.02 |
| 7 | Chemprop-RDKit | Kyle Swanson | Github, Paper | N/A | 0.84 ± 0.007 |
| 8 | AttentiveFP | Kexin Huang | Github, Paper | 300,806 | 0.825 ± 0.007 |
| 9 | AttrMasking | Kexin Huang | Github, Paper | 2,067,053 | 0.778 ± 0.046 |
| 10 | DeepMol (AutoML) | DeepMol Team | Github, Paper | 2,067,053 | 0.763 ± 0.015 |
| 11 | ContextPred | Kexin Huang | Github, Paper | 2,067,053 | 0.756 ± 0.023 |