Computational Toxicology Projects
Computational toxicology studies use mathematics, informatics, and computer models to better understand toxicity mechanisms and predict toxic effects.
Traditional toxicity testing methods, which involve using laboratory animals, are time- and resource-intensive. As a result, many thousands of chemicals currently in commerce lack basic safety information. Computational toxicology methods can help address these needs through the development and use of:
- Computer models of chemical activity
- Adverse outcome pathways, which present potential mechanisms for toxicity
- Integrated approaches to testing and assessment, which generate predictions of toxicity by considering combinations of data in a manner that accurately reflects biology
- Methods for in vitro to in vivo extrapolation, which relates a chemical concentration that induces an in vitro response to an in vivo exposure concentration that results in human or animal illness or injury
NICEATM has been exploring development of computational models for predicting the potential of chemicals to cause skin sensitization and developmental toxicity and to interact with the endocrine system. NICEATM also developed the Integrated Chemical Environment, a source of high-quality, curated data and tools to facilitate chemical safety assessment.