Molecular Property Prediction on Polaris ADMET (test)
0.56HLMECFP
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| ECFPHyperparameter Selection=Best validation score2026.01 | 0.56 | 0.42 | 0.86 | 0.38 | 0.55 | |
| GNNHyperparameter Selection=Best validation score, Baselines Abstracted=GCN, GIN, GAT, GraphSAGE2026.01 | 0.56 | 0.48 | 0.68 | 0.37 | 0.64 | |
| HIMPHyperparameter Selection=Best validation score2026.01 | 0.54 | 0.35 | 0.8 | 0.35 | 0.56 | |
| GNNHyperparameter selection=best on test dataset, Aggregation=10-run mean, Model selection=best-performing among GCN, GIN, GAT, GraphSAGE2026.01 | 0.54 | 0.45 | 0.67 | 0.39 | 0.56 | |
| XIMPHyperparameter Selection=Best validation score2026.01 | 0.53 | 0.37 | 0.69 | 0.31 | 0.49 | |
| HIMPHyperparameter selection=best on test dataset, Aggregation=10-run mean2026.01 | 0.49 | 0.34 | 0.81 | 0.33 | 0.57 | |
| ECFPHyperparameter selection=best on test dataset, Aggregation=10-run mean2026.01 | 0.48 | 0.38 | 0.72 | 0.36 | 0.54 | |
| XIMPHyperparameter selection=best on test dataset, Aggregation=10-run mean2026.01 | 0.48 | 0.33 | 0.69 | 0.32 | 0.52 |