Predictive Models for Carcinogenicity and Mutagenicity: Frameworks, State-of-the-Art, and Perspectives

No abstract is available for this paper.

• Publication year

  2009

• Venue

  Journal of Environmental Science And Health Part C - Environmental Carcinogenesis & Ecotoxicology Reviews

• Publication date

  2009-05-01

• Fields of study

  Biology, Medicine, Chemistry, Environmental Science

• Identifiers
  DOI 10.1080/10590500902885593PMID 19412856
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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• International programme on chemical safety.

  1996cited by this paper
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