The toxicity risk predictor locates fragments within a molecule which indicate a potential toxicity risk. Toxicity risk alerts are an indication that the drawn structure may be harmful concerning the risk category specified. For assessing the toxicity prediction's reliability we ran a set of toxic compounds and a set of presumably non-toxic compounds through the prediction. The diagram below shows the results obtained by predicting all available structures of four subsets of the RTECS database.

E.g. all structures known to be mutagenic were run through the mutagenicity assessment. 81 % of these structures where found to bear a high or medium risk of being mutagenic. As a controlset served a collection of traded drugs of which the mutagenicity risk assessment revealed only 12 % of potentially harmful compounds.