TDC.Lipophilicity_AstraZeneca Leaderboard
Dataset Summary
| Dataset | Unit | Size | Task | Metric | Dataset Split |
|---|---|---|---|---|---|
| TDC.Lipophilicity_AstraZeneca | log-ratio | 4,200 | Regression | MAE | Scaffold |
Leaderboard
| Rank | Model | Contact | Link | #Params | MAE |
|---|---|---|---|---|---|
| 1 | RDKit2D + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 633,409 | 0.574 ± 0.017 |
| 2 | Morgan + MLP (DeepPurpose) | Kexin Huang | GitHub, Paper | 1,477,185 | 0.701 ± 0.009 |
| 3 | CNN (DeepPurpose) | Kexin Huang | GitHub, Paper | 226,625 | 0.743 ± 0.020 |
: The lower the better.