Orchestrator: The Automation Backbone

Welcome to GastroPlus® Orchestrator - the automation backbone.
Orchestrator extends the capabilities of GastroPlus®X (GPX™) beyond the graphical interface, enabling scientists to script, automate, and scale their workflows directly from R, Python, or REST APIs.

Orchestrator transforms your modelling tasks into reproducible, programmable workflows.

It integrates GastroPlus®X (GPX™) with your existing data science tools and modeling pipelines, and empowers you to:

• Automate complex GastroPlus simulations with minimal manual intervention.

• Reproduce analyses with full traceability and auditability.

• Connect simulation data to your preferred machine learning, visualization, and reporting frameworks.

• Scale scientific insight - from a single run to hundreds of automated model analysis (HT-PBPK etc.)

About This Guide

The Orchestrator User Guide provides a collection of step-by-step tutorials, examples, and best practices to help you learn how to use Orchestrator efficiently and effectively in your research and development workflows.

Each tutorial walks you through a real-world scenario - for example:

• Automating an ADMET structure import workflow

• Running automated NCA from simulated concentration–time data

• Executing and analyzing a Population Simulation (PopSim) run

• Performing a Global Sensitivity Analysis (Morris Method)

The guide assumes familiarity with GastroPlus®X and basic scripting concepts in R or Python. It is designed for scientists who want to move from manual simulations to reproducible, automated modeling pipelines.