Structural alerts to genotoxicity: the interaction of human and artificial intelligence

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1990 English Publisher:Oxford University Press (OUP)Journal:Mutagenesis, volume 5, pages 333-362 (issn: 0267-8357, eissn: 1464-3804,

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Authors: H S, Rosenkranz; G, Klopman;

doi: 10.1093/mutage/5.4.333

pmid: 2398817

Structural alerts to genotoxicity: the interaction of human and artificial intelligence

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Abstract

The assignments of 'structural alerts' by Ashby and associates as predictors of genotoxic carcinogenicity were used as the entries for CASE, an artificial intelligence-based structure-activity relational method. CASE, using this human intelligence-based information, was able to derive structural determinants that duplicate the informational content of the structural alerts (sensitivity, 0.974; specificity, 0.948). The CASE-predicted alerts performed as well as the results of the Salmonella mutagenicity assay or the direct application of structural alerts in predicting carcinogens.

Related Organizations

Case Western Reserve University
United States

Keywords

Chemistry, Structure-Activity Relationship, Chemical Phenomena, Molecular Structure, Artificial Intelligence, Carcinogenicity Tests, Mutagenicity Tests, Carcinogens, Humans, Mutagens

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