Record Display for the EPA National Library Catalog

RECORD NUMBER: 10 OF 21

OLS Field Name OLS Field Data
Main Title Computer Automated Study of the Structure-Mutagenicity Relationships of Non-Fused-Ring Nitroarenes and Related Compounds.
Author Klopman, G. ; Kalos, A. ; Rosenkranz, H. S. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1987
Report Number EPA/600/J-87/042;
Stock Number PB87-203188
Additional Subjects Nitro compounds ; Structural analysis ; Toxicity ; Aromatic polycyclic hydrocarbons ; Probability theory ; Computer applications ; Carcinogens ; Reprints ; CASE(Computer Automated Structure Evaluation) ; Mutagenicity tests ; Computer applications
Holdings
Library Call Number Additional Info Location Last
Modified
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Status
NTIS  PB87-203188 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. 06/21/1988
Collation 23p
Abstract
A quantitative structure-activity analysis of the mutagenicity of non-fused ring nitroaromatic compounds is reported. The analysis is performed on the basis of substructural fragment descriptors according to a recently developed methodology acronymed CASE (Computer Automated Structure Evaluation). The compounds of the data base were reclassified as mutagens or non-mutagens on the basis of probabilistic considerations. The mutagenic potencies of these agents were calculated through a multivariate regression analysis using fragments as descriptors. A good correlation with experimental values is obtained. (Copyright (c) 1987 by Hemisphere Publishing Company.)