Fuel Property Prediction on Fuel RON (10-fold cross-validation)
8.57RMSETabPFN
Evaluation Results
| Method | Links | |
|---|---|---|
| TabPFNFeatures=Mordred, Cross-validation protocol=10-fold2026.04 | 8.57 | |
| TabICLFeatures=Mordred, Cross-validation protocol=10-fold2026.04 | 9.02 | |
| CatBoostFeatures=Mordred, Cross-validation protocol=10-fold2026.04 | 9.12 | |
| TabICLFeatures=RDKit2d, Cross-validation protocol=10-fold2026.04 | 9.25 | |
| TabPFNFeatures=RDKit2d, Cross-validation protocol=10-fold2026.04 | 9.43 | |
| GNN MTL-TrainCross-validation protocol=10-fold2026.04 | 9.46 | |
| CheMeleonCross-validation protocol=10-fold2026.04 | 9.48 | |
| TabPFNFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.04 | 9.68 | |
| TabICLFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.04 | 9.89 | |
| CatBoostFeatures=RDKit2d, Cross-validation protocol=10-fold2026.04 | 10.03 | |
| CatBoostFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.04 | 10.13 | |
| GNN STLCross-validation protocol=10-fold2026.04 | 10.29 | |
| RFFeatures=Mordred, Cross-validation protocol=10-fold2026.04 | 10.44 | |
| XGBoostFeatures=Mordred, Cross-validation protocol=10-fold2026.04 | 10.77 | |
| RFFeatures=RDKit2d, Cross-validation protocol=10-fold2026.04 | 10.84 | |
| RFFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.04 | 11.22 | |
| XGBoostFeatures=RDKit2d, Cross-validation protocol=10-fold2026.04 | 11.54 | |
| TabPFNFeatures=Morgan, Cross-validation protocol=10-fold2026.04 | 11.81 | |
| Chemprop GNNCross-validation protocol=10-fold2026.04 | 11.89 | |
| TabICLFeatures=Morgan, Cross-validation protocol=10-fold2026.04 | 11.99 | |
| CatBoostFeatures=Morgan, Cross-validation protocol=10-fold2026.04 | 12.01 | |
| XGBoostFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.04 | 12.33 | |
| XGBoostFeatures=Morgan, Cross-validation protocol=10-fold2026.04 | 12.87 | |
| RFFeatures=Morgan, Cross-validation protocol=10-fold2026.04 | 13.03 |