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Publications
  • Publisher:
    The Japanese Society of Toxicology
  • Publication Date:
    Jan 2015
  • Reference:
    The Journal of Toxicological Sciences, 2015, 40(1), pp77-98
  • DOI:
    10.2131/jts.40.77
  • PMID:
    25743748
  • Publication Type:
    Paper
  • Related Products:
  • Scientific Area:
  • Endpoint:
    Mutagenicity
  • Industry Type:
  • Related event:

Prediction of genotoxic potential of cosmetic ingredients by an in silico battery system consisting of a combination of an expert rule-based system and a statistics-based system

Aiba M; Hirota M; Kouzuki H; Mori M;

Genotoxicity is the most commonly used endpoint to predict the carcinogenicity of chemicals. The International Conference on Harmonization (ICH) M7 Guideline on Assessment and Control of DNA Reactive (Mutagenic) Impurities in Pharmaceuticals to Limit Potential Carcinogenic Risk offers guidance on (quantitative) structure-activity relationship ((Q)SAR) methodologies that predict the outcome of bacterial mutagenicity assay for actual and potential impurities. We examined the effectiveness of the (Q)SAR approach with the combination of Derek Nexus as an expert rule-based system and ADMEWorks as a statistics-based system for the prediction of not only mutagenic potential in the Ames test, but also genotoxic potential in mutagenicity and clastogenicity tests, using a data set of 342 chemicals extracted from the literature.

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