Fig. 5
From: Quantitative prediction of selectivity between the A1 and A2A adenosine receptors
Positive predictive value (PPV) of compounds predicted to be A1AR- or A2AAR-selective. The PPV depicts the number of experimentally validated selective compounds divided by the total number of predicted selective compounds. PPVs are shown when different filters are applied: no bioactivity filter, statistical bioactivity, bioactivity based on docking score, and consensus bioactivity (statistical bioactivity and structure-based docking)