Record Display for the EPA National Library Catalog

RECORD NUMBER: 174 OF 265

Main Title Studies of Relationships between Molecular Structure and Biological Activity by Pattern Recognition Methods.
Author Jurs, P. C. ;
CORP Author Pennsylvania State Univ., University Park.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1983
Report Number EPA-R-811037; EPA/600/D-86/096;
Stock Number PB86-194412
Additional Subjects Toxicity ; Organic compounds ; Pattern recognition ; Molecular structure ; Biopharmaceutics ; Mutagenicity tests ; Carcinogens
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NTIS  PB86-194412 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 21p
Abstract
The attempt to rationalize the connections between the molecular structures of organic compounds and their biological activities comprises the field of structure-activity relations (SAR) studies. Correlations between structure and activity are important for the understanding and the development of pharmaceutical agents, agricultural agents, and chemical communicants (olfactory and gustatory stimulants) and for the investigation of chemical and genetic toxicity (mutagenic and carcinogenic potential). Practical importance attaches to this type of study because of potential exists for prediction of the biological activity of untested or even hypothetical compounds. The techniques of SAR have been applied in the pharmaceutical field (drug design) and, to some extent, in agricultural chemicals. The methods are beginning to be applied to problems in the areas of chemical and genetic toxicity.