Maximum similarity calculation was performed against the internal MPI dataset and diverse compounds were short-listed. The original lysosomotropic class ratio present in the training dataset (65% non-lysosomotropic and 35% lysosomotropic) was aimed to be maintained, therefore, 127 compounds where 81 as non-lysosomotropic and 46 as lysosomotropic compounds predicted by the Descriptor model were short-listed and ordered. For these 127 compounds, the Fingerprint model classified 70 as non-lysosomotropic and 57 as lysosomotropic.