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Comparison and possible use of in silico tools for carcinogenicity within REACH legislation.

Authors
  • Milan, Chiara
  • Schifanella, Onofrio
  • Roncaglioni, Alessandra
  • Benfenati, Emilio
Type
Published Article
Journal
Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews
Publication Date
Oct 01, 2011
Volume
29
Issue
4
Pages
300–323
Identifiers
DOI: 10.1080/10590501.2011.629973
PMID: 22107165
Source
Medline
License
Unknown

Abstract

Seven in silico models have been used to assess the prediction accuracy of chemical compound carcinogenicity. More than 1500 compounds with experimental values have been used to evaluate the models. Here we review the application of these models for toxicity prediction and their advantages and disadvantages, discussing the different approaches underlying the models and their main critical points. Some models have fewer false negatives while others are better at avoiding false positives. Since carcinogenicity is typically evaluated using a series of studies, identification of a strategy using one, or preferably a battery of in silico models, could reduce the number of animal studies needed.

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