We obtained several structural and physicochemical descriptors of the molecules to identify considerable divergence between populations. First, our database was split into acids and bases, and then into the training and test sets. The 'rcdk' package in R was used to look through the descriptors, along with the Jazzy calculations of energies of hydration and hydrogen-bond strengths and the experimental descriptors. The selected feature selection methods showed a wide range of diverse descriptors (see Tables and). We performed a Welch's t-test on our descriptors (WTT), which analyzes the divergence between populations relative to the variances of the two groups. 117 This test was selected over a Student's t-test because of the divergence of sample sizes (Figure ) and variances between groups (Figure -12). The WTT descriptors provided acceptable accuracies (see Figure ).