TDC.Pgp_Broccatelli Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.Pgp_Broccatelli | % | 1,212 | Binary | AUROC | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | AUROC |
|---|---|---|---|---|---|
| 1 | ZairaChem | Gemma Turon | GitHub, Paper | N/A | 0.935 ± 0.006 |
| 2 | SimGCN | Suman Kalyan Bera | GitHub, Paper | 1,103,000 | 0.929 ± 0.010 |
| 3 | AttrMasking | Kexin Huang | GitHub, Paper | 2,067,053 | 0.929 ± 0.006 |
| 4 | ContextPred | Kexin Huang | GitHub, Paper | 2,067,053 | 0.923 ± 0.005 |
| 5 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.918 ± 0.007 |
| 6 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.908 ± 0.012 |
| 7 | NeuralFP | Kexin Huang | GitHub, Paper | 480,193 | 0.902 ± 0.020 |
| 8 | GCN | Kexin Huang | GitHub, Paper | 191,810 | 0.895 ± 0.021 |
| 9 | AttentiveFP | Kexin Huang | GitHub, Paper | 300,806 | 0.892 ± 0.012 |
| 10 | Chemprop-RDKit | Kyle Swanson | GitHub, Paper | N/A | 0.883 ± 0.016 |
| 11 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.880 ± 0.006 |
| 12 | Chemprop | Kyle Swanson | GitHub, Paper | N/A | 0.858 ± 0.036 |
| 13 | Euclia ML model | Euclia | GitHub, Paper | 50 | 0.845 ± 0.003 |
| 14 | Basic ML | Nilavo Boral | GitHub, Paper | N/A | 0.818 ± 0.000 |
: The higher the better.