Modelling the fate of chemicals in humans using a lifetime physiologically based pharmacokinetic (PBPK) model in MERLIN-expo

Abstract : This chapter presents the human model implemented in MERLIN-Expo. This model is a physiologically based pharmacokinetic (PBPK) model that describes the relationship between an external dose and an internal dosimetry using parameters related to the anatomy and physiology of individuals and the physico-chemical properties of the contaminants. The goal of the PBPK model is to simulate the toxicokinetics of contaminants in humans, e.g. the amounts or concentrations of contaminants in different organs/tissues, under various exposure conditions. The generic PBPK model is based on a detailed compartmentalisation of the human body and parameterised with relationships describing the time evolution of the physiology and anatomy of the individuals. In this chapter, we present the detailed description of the human model and the conditions to apply it in MERLIN-Expo. Finally, the model predictability is evaluated by a direct comparison between computational predictions and experimental data on small case studies.