In the dataset, 12 reactions are collected for the hydrogen abstraction of alkanes by CH3 (labeled as CH3Rs and listed in Table ), in which two of them are taken as the prediction set in the DGALL. 12 reactions are included for the hydrogen abstraction by H (labeled as HRs and listed in Table ) with three of them as the prediction set in the DGALL. In addition, 20 reactions are collected for the hydrogen abstraction by O (labeled as ORs and listed in Table ) with one of them as the prediction set in the DGALL. By sampling rate constants at every 5 K interval of temperature using the fitted In this work, the descriptors are selected using the pair-wise linear correlation analysis and the hierarchical clustering heat-map analysis. Four descriptors are screened out from the Mordred generated descriptors to describe the reactants. Different from our previous work, the molecular similarity, instead of the activation energy, is taken as a descriptor to represent different reaction branches.