Another bit encoding sp3 hybridized carbon is Bit 1028 which encodes a carbon atom in the aliphatic ring. This bit is found important in the training dataset and the external dataset. Here too, presence of such substructure favors model predictions towards the lysosomotropic class. Interestingly, FractionCSP3 is a descriptor which describes the fractions of sp3 hybridized carbons present in a compound, and this descriptor is found important in the SHAP analysis of the Descriptor model of all the datasets. Thus, both of the models find the sp3 hybridized carbon substructures important and the therefore suggests predictions towards the lysosomotropic class in the presence of such substructures. Bit 2715, depending on its neighboring groups, might be encoding a secondary amine. This bit is important across all the three datasets. Bit 3200 encoding an aliphatic nitrogen atom is important across all three datasets. For both of these cases, presence of these substructures would impact the model output towards the lysosomotropic class. This is in line with the finding that basic pKa is consistently found as relevant descriptor in the SHAP analysis which is mostly driven by amine moieties.