Fig. 4From: RD-Metabolizer: an integrated and reaction types extensive approach to predict metabolic sites and metabolites of drug-like moleculesROC curve of SOMs predictions for test set 1 (blue) and test set 2 (green). Test set 1 is the internal test set that contains 425 different randomly selected substrate molecules from the metabolic reaction dataset. Test set 2 is the external test set that contains 173 compounds and was previously compiled by Zaretzkiet et al. [16]Back to article page