The overall range of affinity is from 2 to 11.2 log units for all data, the mean range in affinity for a specific protein target is 7.0 log units. The mean number of experimental structures per target was 32, and the mean number of final complexes per target was 2218. Thus, the density of the data was increased compared to the experimental structures alone, and denser than the PDBbind data but not as dense as internal drug discovery LO datasets. Data Augmentation: Actives. Recognizing data density to be a critical challenge we augmented the dataset as follows: