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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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Detalles Bibliográficos
Autores principales: Khalidi, Hiba, Onasanwo, Anthonia, Islam, Barira, Jo, Heeseung, Fisher, Ciarán, Aidley, Rich, Gardner, Iain, Bois, Frederic Y.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9455594/
https://www.ncbi.nlm.nih.gov/pubmed/36091744
http://dx.doi.org/10.3389/fphar.2022.929200