In Silico Prediction of Pharmacokinetic Profile for Human Oral Drug Candidates Which Lack Clinical Pharmacokinetic Experiment Data.

Jingchen Zhai Beihong Ji Shuhan Liu Yuzhao ZhangLianjin CaiJunmei Wang

Published in: European journal of drug metabolism and pharmacokinetics (2022)

In conclusion, we generated practical guidance on applying two mainstream software packages, ADMET Predictor and SimCYP, to construct PBPK models for drugs or drug candidates that lack ADME parameters in model construction.

Keyphrases

molecular docking
endothelial cells
adverse drug
electronic health record
drug induced
molecular dynamics simulations
data analysis
big data
pluripotent stem cells
emergency department