Hierarchical Rules for Read-Across and in Silico Models of Mutagenicity

Emilio Benfenati, Serena Manganelli, Sabrina Giordano, Giuseppa Raitano, Alberto Manganaro

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

A broad set of rules has been implemented within the ToxRead software for read-Across of chemicals for bacterial mutagenicity. These rules were obtained by manually analyzing more than 6000 chemicals and the associated chemical classes. A hierarchy of rules was established to identify those most specifically relating to the target compounds, linked in sequence to the other, more generic ones, which may match with the target compound. Rules related to both mutagenicity and lack of mutagenicity were found. Some of the latter are exceptions to the mutagenicity rules, while others are modulators of activity. These rules can also be used to predict mutagenicity, offering good performance.

Original languageEnglish
Pages (from-to)385-403
Number of pages19
JournalJournal of Environmental Science and Health - Part C Environmental Carcinogenesis and Ecotoxicology Reviews
Volume33
Issue number4
DOIs
Publication statusPublished - Oct 2 2015

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Computer Simulation
Software

Keywords

  • mutagenicity
  • REACH regulation
  • read-Across
  • structural alerts

ASJC Scopus subject areas

  • Health, Toxicology and Mutagenesis
  • Cancer Research

Cite this

Hierarchical Rules for Read-Across and in Silico Models of Mutagenicity. / Benfenati, Emilio; Manganelli, Serena; Giordano, Sabrina; Raitano, Giuseppa; Manganaro, Alberto.

In: Journal of Environmental Science and Health - Part C Environmental Carcinogenesis and Ecotoxicology Reviews, Vol. 33, No. 4, 02.10.2015, p. 385-403.

Research output: Contribution to journalArticle

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