A hybrid modeling approach for assessing mechanistic models of small molecule partitioning in vivo using a machine learning-integrated modeling platform

Abstract Prediction of the first-in-human dosing regimens is a critical step in drug development and requires accurate quantitation of drug distribution. Traditional in vivo studies used to characterize clinical candidate’s volume of distribution are error-prone, time- and cost-intensive and lack re...

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Bibliographic Details
Main Authors: Victor Antontsev, Aditya Jagarapu, Yogesh Bundey, Hypatia Hou, Maksim Khotimchenko, Jason Walsh, Jyotika Varshney
Format: Article
Language:English
Published: Nature Publishing Group 2021-05-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-021-90637-1