In Table , we report observed performances of the two feature-based models and two graph models. Consistent with the previous publication, NeuralFP yielded better predicted values than the ECFP-based model for most tasks. However, the feature-based model using 2.07 0.66 a Performance reported in the format of RM SE test after 5-fold cross-validation, except that the two reactivity datasets were trained with the splits following literature. The most accurate model is highlighted by bolding.