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A Promising New Approach for In Silico Prediction of Drug Concentration Profiles for Drug Candidates Lack of Experimental Pharmacokinetic Data
[post]
2020
unpublished
Aim: The purpose of this study is to develop a novel protocol to predict the concentration profiles of a target drug based on the PBPK model of a structurally similar template drug by combining two software for PBPK modeling, the SimCYP simulator and ADMET Predictor. Methods: The method was evaluated by utilizing 13 drug pairs which come from 18 drugs in the built-in database of the SimCYP software. All drug pairs have their Tanimoto scores no less than 0.5. Three versions (V1, V2 and V3) of
doi:10.22541/au.159110373.38917551
fatcat:entgayxikbcytizlq7tbevosmy