Model performance per target on the external set for the adenosine receptors dataset. The upper panel corresponds to , while the lower panel to RMSEPext. These values were averaged for ten models trained on each subset corresponding to a given target. The best modeled target is the rat adenosine A2b receptor (AA2BR RAT), while the worst is the rat A3 receptor (AA3R RAT). In all cases, the mean RMSEPext values are below 0.75 p K
units, indicating that GP modeling can predict compounds bioactivities on subsets corresponding to a given target.