Predicting organ toxicity using in vitro bioactivity data and chemical structure

Jie Liu, Grace Patlewicz, Antony Williams, Russell S. Thomas, Imran Shah
  • Chemical Research in Toxicology, August 2017, American Chemical Society (ACS)
  • DOI: 10.1021/acs.chemrestox.7b00084

What is it about?

Animal testing alone cannot practically evaluate the health hazard posed by tens of thousands of environmental chemicals. Computational approaches making use of high-throughput experimental data may provide more efficient means to predict chemical toxicity.

Why is it important?

The results of this work demonstrate that a combination of bioactivity and chemical descriptors can accurately predict a range of target organ toxicity outcomes in repeat-dose studies, but specific experimental and methodologic improvements may increase predictivity.

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http://dx.doi.org/10.1021/acs.chemrestox.7b00084

The following have contributed to this page: Dr Antony John Williams