Fig 1. Statistical significance of differences in molecular properties between inhibitors and non-inhibitors.
The calculated p-value is plotted for the differences in molecular properties between the compounds classified as inhibitors and non-inhibitors. The following molecular properties were compared: octanol-water partition coefficient (AlogP), molecular weight, number of aromatic rings, number of rings, number of rotatable bonds, number of hydrogen bond acceptors, molecular fractional polar surface area, and number of hydrogen bond donors. The dotted line represents p=0.01; statistical significance was determined by two-way ANOVA and Bonferroni’s post hoc test.