Figure shows a flowchart of the modelling process. The dataset was divided into acids (113 entries) and bases (100 entries). Zwitterions (12 entries) were not considered for the Machine Learning predictions because of their small sample size and because further lipophilicity modeling will be performed for these molecules (see Results and Discussion section). Acids and bases were randomly and reproducibly sampled into the training and test sets at a ratio of 80:20. Multiple logistic regressions were performed for the training sets based on previously collected descriptors.