. Author manuscript; available in PMC: 2024 Sep 1.

Published in final edited form as: Food Chem Toxicol. 2023 Jul 17;179:113948. doi: 10.1016/j.fct.2023.113948

Table 3.

Selected list of software for drug metabolism prediction

Name	Endpoint	License type	Prediction models available at
ACD/Percepta	CYP450 inhibitor/substrate	Commercial (GUI program)
	P-gP inhibitor/substrate
	Phase I site of metabolism
ADMET predictor	Phase I site of metabolism (Metabolite structure prediction)	Commercial (GUI program)
Meteor Nexus	Metabolic fate prediction	Commercial (GUI program)
PreADMET	CYP450 inhibitor/substrate	Freeware (Web program)	https://preadmet.webservice.bmdrc.org/
PreADMET	P-gP inhibitor	Freeware (Web program)	https://preadmet.webservice.bmdrc.org/
PreMetabo	Phase I site of metabolism	Freeware (Web program)	https://premetabo.webservice.bmdrc.org/
	Phase I & II drug metabolism inhibitor/substrate
	P-gP substrate
admetSAR	Phase I, II, and transporter inhibitor/substrate	Freeware (Web program)	http://lmmd.ecust.edu.cn/admetsar2
SMARTcyp	CYP450 site of metabolism	Freeware (Web program)	https://smartcyp.sund.ku.dk/mol_to_som
Xenosite	Site of metabolism (Epoxidation, Quinonation, Reactivity, Phase I, N-dealkylation, UGT conjugation)	Freeware (Web program)	https://xenosite.org/