A practical application of two in silico systems for identification of potentially mutagenic impurities

Regulatory Toxicology and Pharmacology(2015)

引用 38|浏览10
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摘要
•ICH M7 guidelines suggest to use two in silico systems for hazard identification.•Evaluation of several in silico systems shows comparable predictive accuracy.•When combining systems, nearly one third of predictions were contradictory.•Expert review is demonstrated to significantly enhance predictive performance.•Purity of the test article considered when building or evaluating in silico models.
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关键词
ICH M7,Computational toxicology,Genotoxic impurities,Structure–activity relationships
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