Our toxicodynamics (TD) project focuses on the toxicological mechanisms that may be triggered by exposure to a chemical, aiming to better understand the molecular and cellular effects that cause adverse effects at the level of organs. The main components of the project are:

  • A chemo-informatics platform in which we will collate toxicity data in relation to chemical features, identify in silico tools for analogue identification, property estimation and metabolite prediction, and utilise mechanistic information and knowledge from Adverse Outcome Pathways with chemotypes
  • A repeated dose toxicity–mode of action ontology to develop a structured system that links chemical features, modes of action, and repeated dose toxicity effects with considerations on internal exposure
  • A toolbox of toxicodynamic assays will be built. The selected TD assays will be driven by case study needs and will be evaluated in light of their reliability and relevance.

The toxicodynamics projects are complementary to the toxicokinetics ones, and we designed them to allow their matching and enable the assessment of systemic toxicity.