Substrate
Generation 1

Acetylaminoantipyrine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Acetylaminoantipyrine stable oxygenation prediction

Acetylaminoantipyrine unstable oxygenation prediction

Acetylaminoantipyrine dehydrogenation prediction

Acetylaminoantipyrine reduction prediction

Acetylaminoantipyrine hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)Nc1c(CO)n(C)n(-c2ccccc2)c1=O gsh prediction

CC(=O)Nc1c(CO)n(C)n(-c2ccccc2)c1=O protein prediction

CC(=O)Nc1c(CO)n(C)n(-c2ccccc2)c1=O cyanide prediction

CC(=O)Nc1c(CO)n(C)n(-c2ccccc2)c1=O dna prediction