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Main Title CASE: The Computer-Automated Structure Evaluation Method, Correctly Predicts the Low Mutagenicity for Salmonella of Nitrated Cyclopenta-Fused Polycyclic Aromatic Hydrocarbons.
Author Rosenkranz, H. ; Klopman, G. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Cincinnati, OH.
Publisher c1988
Year Published 1988
Report Number EPA-R-812264; EPA/600/J-88/405;
Stock Number PB90-111568
Additional Subjects Mutagens ; Toxicity ; Tables(Data) ; Salmonella typhimurium ; Reprints ; Computer automated structure evaluation(CASE) ; Polynuclear aromatic hydrocarbons ; Structure-activity relationship ; Predictive value of tests
Library Call Number Additional Info Location Last
NTIS  PB90-111568 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 9p
Recently the synthesis and purification of a series of nitro-substituted cyclopenta-fused polycyclic aromatic hydrocarbons was reported. On the basis of expected charge distributions, these chemicals were predicted to be potent mutagens, but were found to be only weakly mutagenic for Salmonella. The report suggested that application of CASE, an artificial intelligence system recently developed in these laboratories, would also not predict the low mutagenicity of this group of chemicals. In the present report, it is shown that CASE, in fact, correctly predicts the low mutagenicity of nitro-substituted cyclopenta-fused polycyclic aromatic hydrocarbons.(Copyright (c) 1988 Elsevier Science Publishers B.V. Biomedical Division.)