Fig. 9From: eToxPred: a machine learning-based approach to estimate the toxicity of drug candidatesComposition of selected non-toxic compounds. Three examples of fragments more commonly found in FDA-approved molecules than in the TOXNET dataset: (a) piperidine, (b) piperazine, and (c) fluorophenyl. Four sample molecules containing a particular moiety (highlighted by green boxes) are selected from DrugBank and labeled by the DrugBank-IDBack to article page