Understanding the pharmaco/nutrico/toxicokinetic behaviour of drugs, chemicals and food ingredients is a fundamental step in assessing the efficacy and safety of these materials. It can be challenging to study such substances directly in human subjects, while animal models lack direct translatability to humans due to inherent differences in species biology. One promising strategy is the use of physiologically-based pharmacokinetic (PBPK) modelling to predict the local tissue and systemic exposure of these substances. We have developed in-house in vitro and in silico tools to model chemical absorption, distribution, metabolism and excretion (ADME) in humans using data generated from in vitro assays. We apply these tools to predict pharmacokinetic profiles in different settings, ranging from oral or transdermal administration to studying special populations such as pregnant women, for a variety of substances including pharmaceuticals, food ingredients, environmental contaminants, essential micronutrients and microbial metabolites. These capabilities are further enhanced with state-of-the-art, enabling technologies such as the SHIME intestinal digestion simulator and spatial mass spectrometry imaging.