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ICCVAM Biennial Report 2018-2019

ICCVAM Biennial Report 2018-2019
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https://ntp.niehs.nih.gov/go/884102

Machine Learning Approaches to Assess New Threat Compounds

CCDC CBC is actively investigating machine learning approaches to assess new threat compounds. Specifically, the center is focused on three major initiatives focused on characterizing the toxicity of emerging threat compounds. These include:

  • Regression/classification models for assessing acute toxicity in non-human species.
  • Prediction of chemical targets using available in vitro data on human cell systems.
  • Prediction of chemical-target interaction with three-dimensional docking models.
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