Fig. 6

Highlighted molecular substructures in a Pazopanib, b Imatinib, c Dactinomycin, and d Atorvastatin. Molecular substructures that contributed to the DILI predictions are highlighted (left), and the molecular substructures and their SMILES are presented (right). All four molecular substructures are known to be responsible for DILI. The dashed lines indicate conjugated double bonds