Regression on BACE
0.84R^2GNN+PGM
Evaluation results
| Method | Links | |
|---|---|---|
| GNN+PGMEvaluation Protocol=80/20 split2026.04 | 0.84 | |
| GNNEvaluation Protocol=80/20 split2026.04 | 0.83 | |
| Enhanced classical modelsEvaluation Protocol=5-fold CV2026.04 | 0.71 | |
| ChemBERTaEvaluation Protocol=80/20 split2026.04 | 0.65 |