Regression on ESOL (R^2)
0.89R^2Enhanced classical models
Evaluation results
| Method | Links | |
|---|---|---|
| Enhanced classical modelsEvaluation Protocol=5-fold CV2026.04 | 0.89 | |
| GNN+PGMEvaluation Protocol=80/20 split2026.04 | 0.86 | |
| GNNEvaluation Protocol=80/20 split2026.04 | 0.84 | |
| ChemBERTaEvaluation Protocol=80/20 split2026.04 | 0.82 |