For each of the four scoring functions considered (AutoDock Vina, RF-Score, RF-Score v3, and NNScore 2.0) we constructed two sets of features. The first used only the original features of the scoring functions, while the second used the original features of the scoring function, plus the 183 RDKit descriptors of the ligand. Since AutoDock Vina (and hence RF-Score v3 and NNScore 2.0) already use the number of rotatable bonds of the ligand, we dropped this from the set of RDKit descriptors added to avoid including the same feature twice. Finally, to examine whether there is any signal in the RDKit descriptors independent of the structure-based features, we constructed models using only the RDKit descriptors as a separate feature set, resulting in a total of nine different sets of features.