Fig. 6

KnowTox tool applied in a case study. aTriazoles1&2 used as query compounds for the case study. b Output of CP. Grey: number of endpoints per family available for CP. Red and blue: number of endpoints where triazoles1&2 were predicted to be active (SCP) at SL 0.2. c Three selected toxic alerts found for triazoles1&2. (Note that the potentially critical “triazole” substructure is not considered in this work). dTriazole1 (left) and triazole2 (right) and their most similar molecules in ToxCast including CAS number and Tanimoto similarity. Red: maximum common substructure. e Experimental information from ToxCast for propiconazole (left) and bromuconazole (right). Grey: available assays in ToxCast. Blue: assays where compound was tested active