Quinone species, including quinone-imines, quinone-methides, and imine-methides, are electrophilic Michael acceptors that are often highly reactive, and comprise over 40% of all known reactive metabolites. Quinone metabolites are created by cytochromes P450 and peroxidases. This is there first published method for predicting quinone formation, including one- and two-step quinone formation. On the atom level, we predict sites of quinone formation with an AUC accuracy of 97.6%, and we identify molecules that form quinones with 88.2% AUC.
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