Pharmacolibrary - Free Library to Model Pharmacology

Abstract

Mechanistic modeling of drug behavior and response isessential for rational drug development and personalizedtherapy, yet constructing, maintaining, reusing andcustomizing complex pharmacokinetic–pharmacodynamic andphysiologically based pharmacokinetic models can beerror-prone when implemented solely via equations or code.We introduce Pharmacolibrary, a free Modelica libraryoffering standardized acausal components forpharmacokinetics, pharmacodynamics,toxicokinetics/toxicodynamics and pharmacogenomics fromcompartmental and physiologically based templates to effectmodels and genotype–phenotype records—to simplify modelreuse, customization, and interoperability. Its utility isshowcased with gentamicin, midazolam, and fentanyl casestudies, including pharmacogenomics-driven clearanceadjustments and pharmacodynamics simulations.