Computational toxicology at the European Commission's Joint Research Centre

Abstract

The methods and tools of computational toxicology form an essential and integrating pillar in the new paradigm of predictive toxicology, which seeks to develop more efficient and effective means of assessing chemical toxicity, while also reducing animal testing. The increasingly prominent role of computational toxicology in the implementation of European chemicals' legislation is described, along with initiatives by the European Commission's Joint Research Centre to promote the acceptance and use of computational methods. Outstanding needs and scientific challenges are also outlined. In recent years, there have been impressive scientific and technological advances in computational toxicology. However, considerable progress is still needed to increase the acceptance of computational methods, and in particular to develop a deeper and common understanding of how to apply computational toxicology in regulatory decision making.

Keywords::

• applicability domain
• computational toxicology
• EU legislation
• European Commission
• QSAR
• quantitative structure–activity relationship
• REACH
• regulatory toxicology