SimRFlow: An R-based workflow for automated high-throughput PBPK simulation with the Simcyp® simulator

SimRFlow: An R-based workflow for automated high-throughput PBPK simulation with the Simcyp® simulator

SimRFlow is a high-throughput physiologically based pharmacokinetic (PBPK) modelling tool which uses Certara’s Simcyp® simulator. The workflow is comprised of three main modules: 1) a Data Collection module for automated curation of physicochemical (from ChEMBL and the Norman Suspect List databases)...

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Bibliographic Details
Main Authors: Hiba Khalidi, Anthonia Onasanwo, Barira Islam, Heeseung Jo, Ciarán Fisher, Rich Aidley, Iain Gardner, Frederic Y. Bois
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-08-01
Series:Frontiers in Pharmacology
Subjects:
high-throughput
PBPK modelling
simulation
simcyp simulator
R
automated data collection
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2022.929200/full

Internet

https://www.frontiersin.org/articles/10.3389/fphar.2022.929200/full

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