Sungpil Han
Department of Pharmacology, College of Medicine, the Catholic University of Korea
Objectives: Modeling and simulation tools for pharmacokinetics (PK) and pharmacodynamics (PD) analysis usually require advanced abilities and knowledge of users and significant hardware resources which can be a hurdle for the trainees or researchers on unrelated fields. R Shiny is a useful software package that builds a convenient and easy user interface for R statistical software’s capabilities on a web browser without installing any software. Cloud computing allows pharmacometricians to access advanced hardware, network, and security resources available to expedite analysis and reporting. We have developed a Linux server which contains clinical pharmacology and pharmacometrics R Shiny apps for PK/PD analysis using cloud computing tools.
Methods: Elastic Computing Cloud (EC2) provides scalable capacity in the AWS (Amazon Web Service) cloud and offers varying combinations of CPU, memory, storage, and network capacity to fit different use cases. We used t2.xlarge (8 GB RAM, 4 vCPU) and integration of MPICH2 into Grid Engine was implemented for distributed memory applications used in parallel computing. R software, Shiny Server, and multiple R packages are installed to host Shiny applications on the server.
Results: Currently, 11 R Shiny apps (Bioequivalence, Caffeine PK simulation, Static DDI model, ECG analysis, NONMEM Web, PK/PD simulation, Vancomycin TDM, Tacrolimus TDM, Cyclosporin TDM, Modified CRM) are listed on the web page, www.pipetapps.com. The specific description of the apps is omitted in this poster, but the user manual is available online. Using PK-PD Simulation app, PK and PD simulations of 100 mg Drug X PO single and multiple oral dosing using various models with first-order absorption are successfully performed. Using NONMEM Web app, the result using THEOPP population data (N=12) and ADVAN2 showed successful reproduction of that on local computing environment (Windows 10 64-bit, Intel i7, 8.0 GB RAM) and the total CPU time is dramatically shorter.
Conclusion: PIPETapps not only provides a useful platform to educate clinical pharmacology and pharmacometrics for students and researchers but also offers a powerful computing environment for advanced pharmacometricians.
Reference: PAGE 30 (2022) Abstr 10204 [www.page-meeting.org/?abstract=10204]
Poster: Software Demonstration