1 Description

IQdesktop is a docker image based system that provides the following main features:

  • Validated computational platform for Modeling & Simulation based analyses, ready to be used for GxP compliant analyses.
  • Workflow system providing efficient support for Modeling & Simulation analyses.

1.1 M&S Platform

IQdesktop is a Linux (Ubuntu LTS) based virtual computer system that is easily deployed and comes with a large number of preinstalled software packages. Examples for preinstalled software are:

  • R, MATLAB, Pyhton
  • NONMEM, MONOLIX, PsN
  • SimBiology
  • The IntiQuan Workflow tools (IQR Tools, IQReport, and IQSlides)
  • Development tools (RStudio, Jenkins CI/CD server)
  • Convenience software (version control, Shiny server, web browser, libreoffice, etc.)
  • For a detailed list of relevant installed software, have a look here.

During the generation of an IQdesktop docker image the key Modeling & Simulation software is tested in a systematic manner and the results of these tests are documented in the static IQdesktop image itself.

1.2 M&S Workflow System

The figure below shows an overview over the IntiQuan workflow tools (IQR Tools) that have been developed for more than 14 years for use in modeling & simulation analyses across the areas of systems biology, systems pharmacology, and pharmacometrics.

Development of IQR Tools was driven by the vision that the manual steps an analyst has to conduct should be reduced to a minimum, and allowing for fully script based and thus reproducible analyses.

This is what we at IntiQuan call “Workflow”

IntiQuan workflow tools (IQR Tools)

The figure below depicts the typical scenario in pharmacometric modeling and simulation environments. A computer system is made available to a user that has many different software packages installed and it is up to the user to convert data, models, and analysis outputs from one software to the other – most of the time in a manual manner that is prone to errors and lacks reproducibility by design.

The following is NOT what we call a “Workflow”

Typical approach in pharmacometrics

A view of IQdesktop with some open applications is shown in the figure below. All data and models in this example were taken from literature.

IQdesktop preview of desktop

1.3 Pharmacometrics & QSP

Not only modeling and simulation in Pharmacometrics is heavily supported by IQdesktop. In addition Systems Biology modeling and QSP modeling are at the heart of the system. Depending on a user’s, preference modeling in QSP can be performed in R and MATLAB (including SimBiology). Also without the use of SimBiology the graphical definition of pathway diagrams is supported through CellDesigner. Models generated in CellDesigner can easily be imported into R through IQR Tools (they are simply SBML models) and then processed an used further.

Possible use of CellDesigner on IQdesktop

The “Tools” will never be again your limitation!