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

Chiara Milan, Onofrio Schifanella, Alessandra Roncaglioni, Emilio Benfenati

Research output: Contribution to journalArticlepeer-review


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.

Original languageEnglish
Pages (from-to)300-323
Number of pages24
JournalJournal of Environmental Science and Health - Part C Environmental Carcinogenesis and Ecotoxicology Reviews
Issue number4
Publication statusPublished - Oct 1 2011


  • alternative methods
  • carcinogenicity
  • QSAR

ASJC Scopus subject areas

  • Health, Toxicology and Mutagenesis
  • Cancer Research


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