A set of five informative descriptors (i.e., Mor04m, Mor08e, H8m, G1v and SIC2) was obtained using correlation-based feature selection. Definitions of the selected descriptors and the descriptor values of the investigated compounds are presented in Table 2(Tab. 2) and Supplementary Table S1, respectively. The QSAR model (Equation 3) was successfully constructed using a multiple linear regression (MLR) algorithm.