Toxicokinetic models and related tools in environmental risk assessment of chemicals

Environmental risk assessment of chemicals for the protection of ecosystems integrity is a key regulatory and scientific research field which is undergoing constant development in modelling approaches and harmonisation with human risk assessment. This review focuses on state-of-the-art toxicokinetic tools and models that have been applied to terrestrial and aquatic species relevant to environmental risk assessment of chemicals. Both empirical and mechanistic toxicokinetic models are discussed using the results of extensive literature searches together with tools and software for their calibration and an overview of applications in environmental risk assessment. These include simple tools such as one-compartment models, multi-compartment models to physiologically-based toxicokinetic (PBTK) models, mostly available for aquatic species such as fish species and a number of chemical classes including plant protection products, metals, persistent organic pollutants, nanoparticles. Data gaps and further research needs are highlighted. [Display omitted] •State-of-the-art of toxicokinetic models in environmental risk assessment•Empirical compartment models were more developed than mechanistic models.•Models were mostly developed for aquatic species, in particular for fish.•Models were applied to a diversity of organic and inorganic compounds classes.•Further research needs: developing mechanistic models integrating confounding factors.