To investigate the effects of augmentation with ligand molecular descriptors, we considered the features of several publicly-available machine learning scoring functions, namely RF-Score 19 , RF-Score v3 , and NNScore 2.0 20 . Both RF-Score v3 and NNScore 2.0 include the six terms used by the AutoDock Vina scoring function 15 . We therefore considered the AutoDock Vina terms separately to examine the effect of combining ligand molecular descriptors with just the terms used by a classical empirical scoring function. We computed the features of each of these scoring functions using the implementations provided by the Open Drug Discovery Toolkit (ODDT) version 0.6 .