Record Display for the EPA National Library Catalog

RECORD NUMBER: 24 OF 568

Main Title Application of SAR Methods to Non-Congeneric Data Bases Associated with Carcinogenicity and Mutagenicity: Issues and Approaches.
Author Richard., A. M. ;
CORP Author Environmental Protection Agency, Research Triangle Park, NC. Carcinogenesis and Metabolism Branch. ;International Commission for Protection against Environmental Mutagens and Carcinogens, Rijswijk (Netherlands).
Publisher cFeb 94
Year Published 1994
Report Number EPA/600/J-94/326;
Stock Number PB94-197100
Additional Subjects Carcinogens ; Mutagens ; Toxicology ; Structure-activity relationships ; Data bases ; Models ; Reprints ; TOPKAT(TOxicity Prediction by Komputer Assisted Technology) method ; CASE(Computer Automated Structure Evaluator) method
Holdings
Library Call Number Additional Info Location Last
Modified
Checkout
Status
NTIS  PB94-197100 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 29p
Abstract
The highly structurally diverse nature of current carcinogenicity and mutagenicity data bases has motivated development of more general structure-activity relationships (SAR) approaches, potentially applicable to the treatment of diverse, non-congeneric mutagenicity and carcinogenicity data bases. Three specific approaches are considered in some detail--Ashby's structural alerts model, classified as a 'rule-based' SAR approach, and the computerized CASE fragment-based method and TOPKAT linear discriminant equation method, both classified as 'correlative' SAR approaches. Relative strengths and limitations, and a number of common features and important distinctions between these 3 methods are discussed. Finally, problems in comparing the relative predictive capabilities of different SAR approaches are discussed, and strategies for SAR investigation involving integration of existing techniques are suggested.