TDC.Solubility_AqSolDB Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.Solubility_AqSolDB | log mol/L | 9,982 | Regression | MAE | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | MAE |
|---|---|---|---|---|---|
| 1 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.827 ± 0.047 |
| 2 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 1.023 ± 0.023 |
| 3 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 1.203 ± 0.019 |
: The lower the better.