Our ML models were trained on the internal dataset and tested on diverse validation sets. This ensured that these models' predictions and, by extension, the interpretable analyses done on them are general and not specific to the training set. These models revealed that the lysosomotropic e↵ect is favored when the compounds have high lipophilicity, basicity, high number of basic amines and high number of sp3 -hybridized carbons, and low TPSA.