Lipophilicity
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Property Prediction (Regression) | Lipophilicity | RMSE0.599 | 34 | |
| Regression | Lipophilicity random 6:2:2 (test) | RMSE0.745 | 17 | |
| Molecular property prediction | Lipophilicity (scaffold) | RMSE0.6 | 12 | |
| Molecule optimization | Lipophilicity | Final HV0.9042 | 6 | |
| Molecular Property Prediction | Lipophilicity Small-dataset CliffSplit | Q1 Score0.474 | 5 | |
| Regression-based molecular property prediction | Lipophilicity (random split) | RMSE0.555 | 5 | |
| Molecular Property Prediction (Regression) | Lipophilicity MoleculeNet scaffold (test) | RMSE0.932 | 2 |
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