Chemical Property Prediction on 11 Engineering Datasets
11Win CountTabPFN
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| TabPFNFeatures/Descriptors=Mordred2026.04 | 11 | 100 | 2 | |
| TabPFNFeatures/Descriptors=RDKit2d2026.04 | 11 | 100 | 3.18 | |
| TabICLFeatures/Descriptors=RDKit2d2026.04 | 11 | 100 | 3.45 | |
| TabICLFeatures/Descriptors=Mordred2026.04 | 10 | 90.9 | 4.27 | |
| TabPFNFeatures/Descriptors=CheMeleonFP2026.04 | 10 | 90.9 | 5.73 | |
| CatBoostFeatures/Descriptors=Mordred2026.04 | 10 | 90.9 | 6.73 | |
| CheMeleon2026.04 | 10 | 90.9 | 8.91 | |
| TabICLFeatures/Descriptors=CheMeleonFP2026.04 | 9 | 81.8 | 9.27 | |
| TabPFNFeatures/Descriptors=Morgan2026.04 | 9 | 81.8 | 11.09 | |
| CatBoostFeatures/Descriptors=RDKit2d2026.04 | 8 | 72.7 | 10.09 | |
| TabICLFeatures/Descriptors=Morgan2026.04 | 8 | 72.7 | 12.27 | |
| XGBoostFeatures/Descriptors=Mordred2026.04 | 8 | 72.7 | 14.55 | |
| XGBoostFeatures/Descriptors=RDKit2d2026.04 | 8 | 72.7 | 15.73 | |
| CatBoostFeatures/Descriptors=CheMeleonFP2026.04 | 7 | 63.6 | 10.64 | |
| RFFeatures/Descriptors=Mordred2026.04 | 7 | 63.6 | 13.27 | |
| RFFeatures/Descriptors=RDKit2d2026.04 | 7 | 63.6 | 14.82 | |
| RFFeatures/Descriptors=CheMeleonFP2026.04 | 6 | 54.5 | 17.27 | |
| CatBoostFeatures/Descriptors=Morgan2026.04 | 5 | 45.5 | 15.18 | |
| XGBoostFeatures/Descriptors=CheMeleonFP2026.04 | 5 | 45.5 | 19.09 | |
| RFFeatures/Descriptors=Morgan2026.04 | 4 | 36.4 | 17.64 | |
| XGBoostFeatures/Descriptors=Morgan2026.04 | 4 | 36.4 | 18.09 | |
| Chemprop GNN2026.04 | 4 | 36.4 | 19.73 |