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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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Autors principals: Hiba Khalidi, Anthonia Onasanwo, Barira Islam, Heeseung Jo, Ciarán Fisher, Rich Aidley, Iain Gardner, Frederic Y. Bois
Format: Artigo
Idioma:Inglês
Publicat: Frontiers Media S.A. 2022-08-01
Col·lecció:Frontiers in Pharmacology
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Accés en línia:https://www.frontiersin.org/articles/10.3389/fphar.2022.929200/full
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