mrgsolve

mrgsolve simulates hierarchical ordinary differential equation (ODE)-based pharmacometric and systems biology models for quantitative pharmacology, enabling population, PBPK, and QSP simulations relevant to drug development.

Key Features:

• Integration of R and C++: Leverages R and C++ to provide an efficient simulation engine for model execution.
• Hierarchical ODE-Based Models: Supports hierarchical ODE models including physiologically-based pharmacokinetic (PBPK) and quantitative systems pharmacology (QSP) frameworks.
• Parallelizable Workflow: Supports parallelized execution within R workflows to accelerate large-scale simulations.
• Model Specification and Intervention Handling: Allows specification of models and introduction of interventions such as dosing events within simulations.
• Postprocessing of Simulated Results: Provides capabilities for processing and analyzing simulated datasets.

Scientific Applications:

• PBPK Modeling: Simulates PBPK models such as voriconazole with validation against adult and pediatric datasets.
• QSP Modeling: Simulates QSP models including mitogen-activated protein kinase (MAPK) signaling in colorectal cancer and population simulations of combination therapies.

Methodology:

Model specification followed by simulation of hierarchical ODEs with integrated R and C++, introduction of dosing interventions, parallelizable execution, and postprocessing of results.