To investigate the effect of using biological assay context for bioactivity modeling, we created several representative bioactivity datasets using the Papyrus data set (version 05.7). Specifically, we collected data for targets from the class A G protein-coupled receptors (GPCRs), protein tyrosine kinases, and solute carriers (SLCs). Only the subset describing ChEMBL data was kept as this can be linked to annotated assay information therein. Low quality data, as annotated in the Papyrus set, was excluded as well as compounds with a molecular weight over 1000 Da and datapoints from publications describing allosteric modulators. As a final filtering step, only targets with more than 100 unique compounds were kept. As visible from the number of targets, compounds and individual datapoints, the final data sets of the GPCRs and protein tyrosine kinases are larger than for the SLCs (Table ).