The color gradient from blue to red indicates the value of a feature from lower to higher. In our case, positive Shapley value correspond to the lysosomotropic class, and negative Shapley values to the non-lysosomotropic class. In the SHAP analysis of the training dataset, logP and bpKa1 are found as the most important descriptors. It can be observed in Fig. that the higher logP and bpKa1 values contribute the model output towards the lysosomotropic class, and vice-versa. Similar observations are noted in both of the SHAP analysis of the validations sets, the only exception being that the bpKa1 is the third most important descriptor in the time-split dataset.