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Computational Toxicology Projects

Computational toxicology studies use mathematics, informatics, and computer models to better understand toxicity mechanisms and predict toxic effects.

NICEATM invites scientists to develop in silico models that predict five specific endpoints needed by regulatory agencies: submission packages are due February 16, 2018, for presentation at an April 2018 workshop. Find out more

Graphic of chemical structure and pipet

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:

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.