Directorate General Joint Research Centre European Commission

This presentation will focus on the role of mathematical modelling and predictive toxicology in the safety assessment of chemicals and consumer products. The starting point will be regulatory assessment of chemicals based on their potential for harming human health or the environment. This will set the scene for describing current practices in the development and application of mathematical and computational models. A wide variety of methodological approaches are employed, ranging from relatively simple statistical models to more advanced machine learning approaches. The modelling context also ranges from discovering the underlying mechanisms of chemical toxicity to the safe and sustainable design of chemical products. The main modelling approaches will be reviewed, along with the challenges and opportunities associated with their use.  The presentation will conclude by identifying current research needs, including progress towards a Unified Theory of Chemical Toxicology.