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ResearchFormerly WizWand

Fuel Property Prediction on Fuel RON (10-fold cross-validation)

8.57RMSETabPFN
8.39169.595810.812.0042Apr 17, 2026
Updated 6mo ago

Evaluation results

MethodLinks
TabPFNFeatures=Mordred, Cross-validation protocol=10-fold2026.048.57
TabICLFeatures=Mordred, Cross-validation protocol=10-fold2026.049.02
CatBoostFeatures=Mordred, Cross-validation protocol=10-fold2026.049.12
TabICLFeatures=RDKit2d, Cross-validation protocol=10-fold2026.049.25
TabPFNFeatures=RDKit2d, Cross-validation protocol=10-fold2026.049.43
GNN MTL-TrainCross-validation protocol=10-fold2026.049.46
CheMeleonCross-validation protocol=10-fold2026.049.48
TabPFNFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.049.68
TabICLFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.049.89
CatBoostFeatures=RDKit2d, Cross-validation protocol=10-fold2026.0410.03
CatBoostFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.0410.13
GNN STLCross-validation protocol=10-fold2026.0410.29
RFFeatures=Mordred, Cross-validation protocol=10-fold2026.0410.44
XGBoostFeatures=Mordred, Cross-validation protocol=10-fold2026.0410.77
RFFeatures=RDKit2d, Cross-validation protocol=10-fold2026.0410.84
RFFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.0411.22
XGBoostFeatures=RDKit2d, Cross-validation protocol=10-fold2026.0411.54
TabPFNFeatures=Morgan, Cross-validation protocol=10-fold2026.0411.81
Chemprop GNNCross-validation protocol=10-fold2026.0411.89
TabICLFeatures=Morgan, Cross-validation protocol=10-fold2026.0411.99
CatBoostFeatures=Morgan, Cross-validation protocol=10-fold2026.0412.01
XGBoostFeatures=CheMeleonFP, Cross-validation protocol=10-fold2026.0412.33
XGBoostFeatures=Morgan, Cross-validation protocol=10-fold2026.0412.87
RFFeatures=Morgan, Cross-validation protocol=10-fold2026.0413.03