QPRapp: A Web-Based Platform for PK/PD Simulations and Early Feasibility Analysis.

Abstract

Quantitative pharmacology research application (QPRapp) is a web-based, interactive, and easy to use Shiny for Python interface, which facilitates evaluation of dose-exposure relationships, pharmacokinetic/pharmacodynamic (PK/PD) assessment of small and large molecules, and calculation of target occupancy for mono-, bi-, and tri-specific molecules. The dashboard sidebar offers a streamlined approach that incorporates multiple inputs, with various drop-down options to conduct respective simulations. The user can specify the type of molecule (small or large), number of model's compartments (one or two), and for large molecules, the number of drug's targets (one, two, or three). Additionally, the user can choose among the four indirect response PD models and execute the corresponding PK/PD simulations for small molecules. The platform application allows users to easily export simulated scenarios as CSV files for further analysis. Boasting features such as target-mediated drug disposition (TMDD) and early feasibility analysis (EFA) for multi-specific molecules, this application can assist project teams with limited computational expertise in applying model-informed drug development (MIDD) during the early stages of drug discovery and development.