Introduction and Review of Modeling and Predicting Toxicity of Chemical Substances Based on Physiologically-Based Pharmacokinetic Models Using Computer Software

Abstract

Nowadays, the application of kinetic models based on physiology in modelling and predicting the level of toxicity of chemical substances is developing rapidly. The data extracted from these models are being used in environmental risk assessment. They are also widely being used in various industries and research sectors such as drug development, product safety evaluation, and clinical or pharmaceutical procedures. These models are also considered a suitable alternative to animal models. With the progress of computer science, many software programs have been designed to model and better understand these models. Each of these software programs has a range of specific user features and provides various modelling capabilities based on the user's needs. In this study, several software programs that perform modelling based on physiologically-based pharmacokinetic (PBPK) models are introduced, and the advantages and disadvantages of each are stated. © 2023, Isfahan University of Medical Sciences(IUMS). All rights reserved.