Fig. 4

Distribution of SlogP among the three kinds of inhibitors. Inhibitors of P-gp only: red bars (class 1); inhibitors of BCRP only: green bars (class 2); inhibitors of both P-gp and BCRP: blue bars (class 3). Top panel bar plot of the counts per binned value of SlogP. Middle panel proportions of each class in each bin, by putting each bin count to 100 %. Lower panel Matthews Correlation Coefficient (MCC) that would be obtained by splitting the data at each SlogP value. MCC values that peak above or below 0 show ideal thresholds to separate the data between classes. The colored dotted lines corresponds to the peaks of MCC and the corresponding SlogP values (between 3 and 4) for separating class 1 from 2 (red dotted lines) and class 2 from 3 (green dotted lines)