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

• Main Authors: Hiba Khalidi (Author), Anthonia Onasanwo (Author), Barira Islam (Author), Heeseung Jo (Author), Ciarán Fisher (Author), Rich Aidley (Author), Iain Gardner (Author), Frederic Y. Bois (Author)
• Format: Book
• Published: Frontiers Media S.A., 2022-08-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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 datab...