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

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 reproducibi...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Antontsev, Victor, Jagarapu, Aditya, Bundey, Yogesh, Hou, Hypatia, Khotimchenko, Maksim, Walsh, Jason, Varshney, Jyotika
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8160209/
https://ncbi.nlm.nih.gov/pubmed/34045592
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-90637-1
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