Substrate
Generation 1
Generation 2
Generation 3
Generation 4

Adenosine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adenosine Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1ncnc2c1=NC(=O)N=2 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12ON1C=NC1=NC(=O)N=C12 N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CN1OC1(N)C1=NC(=O)N=C1O stable oxygenation prediction

N=CN1OC1(N)C1=NC(=O)N=C1O unstable oxygenation prediction

N=CN1OC1(N)C1=NC(=O)N=C1O dehydrogenation prediction

N=CN1OC1(N)C1=NC(=O)N=C1O reduction prediction

N=CN1OC1(N)C1=NC(=O)N=C1O hydrolysis prediction

Generation 4

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NCN1OC1(N)C1=NC(=O)N=C1O gsh prediction

NCN1OC1(N)C1=NC(=O)N=C1O protein prediction

NCN1OC1(N)C1=NC(=O)N=C1O cyanide prediction

NCN1OC1(N)C1=NC(=O)N=C1O dna prediction