Reproducible Analyses

Case Study

Everything related to Modeling & Simulation and Data Analytics
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Reproducible Analyses & Computation without Borders

The Challenge

Efficient work in Modeling & Simulation requires tight interconnection of multiple software tools that are bound together by powerful workflow systems. Setting such computer systems up is time consuming, software must be updated periodically, and qualification / validation must be ensured at any point in time.

The reproducibility of analyses must be ensured years after they were conducted. In many environments it is impossible to recreate the state of a computer system as it was at the time of the original analysis => old analyses are likely to not be reproducible.

The Solution: IQ Desktop

IntiQuan developed a qualified virtual Modeling & Simulation environment based on the docker technology. We call this environment “IQdesktop”.

IQdesktop uses state-of-the-art virtualization techniques, packaging full computer systems into static images that are versioned and allows to recreate a defined computational environment at any point in time. IQdesktop runs on any host computer system, including Windows, macOS, Linux, Linux clusters, or cloud-based systems. This ensures consistency of results and analyses across different operating systems, hardware architectures, and Time!

The Benefit

  • IntiQuan customers benefit from the knowledge and certainty that all analyses conducted by IntiQuan are 100% reproducible at any point in time – also in the future.
  • IntiQuan benefits from considerably reduced IT administration effort.
  • Users of IQdesktop benefit from its almost limitless use. Other similar environments are bound to run on AWS or on dedicated provider based systems. IQdesktop runs essentially on any somewhat modern system: Local Laptops with Windows 10, Linux, or MacOS. But it also runs on servers or on cloud solutions such as AWS, GCP, and Azure.

Public Availability

  • The latest version of IQdesktop is always freely available from docker-hub.

R-based NCA

Bringing powerful R-based NCA to modelers as an initial diagnostic tool

Reporting in Microsoft Word

Conduct of tight-deadline submission projects required the availability of an efficient reporting tool

R based PK/PD modeling workflow

We helped a client leverage the power of open-source modeling tools for internal modeling and simulation tasks