Fig. 3
From: Quantitative prediction of selectivity between the A1 and A2A adenosine receptors
Chemical structures of compounds with predictions by different selectivity models. The compounds were wrongly predicted with the two-step A1AR-A2AAR model and correctly predicted with the selectivity-window model. Predictions are indicated as: predicted A1AR-selective (A1AR), A2AAR-selective (A2AAR), and as dual binder (Dual) for ligands CHEMBL260788 (a), CHEMBL3596506 (b), and CHEMBL201750 (c)