Identification of Rodent Carcinogens by an Expert System

Rosenkranz, HS; Klopman, G

HERO ID

664363

Reference Type

Book/Book Chapter

Year

1990

Language

English

PMID

2203007

HERO ID 664363
Year 1990
Title Identification of Rodent Carcinogens by an Expert System
Book Title Mutation and the Environment, Part B: Metabolism, Testing Methods, and Chromosomes
Authors Rosenkranz, HS; Klopman, G
Editor M.L. Mendelsohn; R.J. Albertini
Publisher Text Wiley
City New York
Volume 340
Page Numbers 23-48
Abstract CASE, an artificial intelligence method for identifying structural determinants responsible for biological activity was applied to the U.S. National Toxicology Program (NTP) cancer bioassay results. CASE identified structures which were significantly associated with rodent carcinogenicity. On the basis of these structural determinants CASE exhibited a sensitivity of 0.98 and a specificity of 1.00. CASE showed a similarly remarkable performance in predicting the carcinogenicity, or lack thereof, of chemicals not in the NTP data base. A comparison between the activating structures (biophores) responsible for mutagenicity in Salmonella and rodent carcinogenicity showed a significant overlap, verifying that there are structural commonalities between the two phenomena. CASE also identified biophores significantly associated with the activity of non-genotoxic carcinogens, thereby suggesting the unexpected possibility that there is a structural commonality among the chemicals included in this group. A comparison between the biophores responsible for carcinogenicity in mice and rats resulted in the identification of common ("universal") biophores. It is suggested that agents which contain "universal" biophores are more likely to present a risk to human than carcinogens that do not possess such biophores. CASE also permitted the recognition of species-specific carcinogenic biophores. While the former are primarily electrophiles or potential electrophiles, the latter represent non-electrophilic structures.
Pmid 2203007
Is Certified Translation No
Dupe Override No
Conference Location Cleveland, OH
Series Progress in Clinical and Biological Research
Isbn 9780471567929
Conference Name Fifth International Conference on Environmental Mutagens
Conference Date July 10-15, 1989
Comments Journal: MENDELSOHN ISSN:
Is Public Yes
Language Text English
Keyword <?xml version="1.0" encoding="UTF-8"?><kw>General Biology-Symposia</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Cytology and Cytochemistry-Animal</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Genetics and Cytogenetics-Animal</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Toxicology-General</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Neoplasms and Neoplastic Agents-Carcinogens and Carcinogenesis</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Physiology and Biochemistry of Bacteria</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Genetics of Bacteria and Viruses</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Enterobacteriaceae (1979- )</kw>; <?xml version="1.0" encoding="UTF-8"?><kw>Rodentia-Unspecified</kw>
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