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RECORD NUMBER: 38 OF 265

OLS Field Name OLS Field Data
Main Title Computer-Assisted Studies of Molecular Structure and Genotoxic Activity by Pattern Recognition Techniques.
Author Stouch, T. R. ; Jurs, P. C. ;
CORP Author Pennsylvania State Univ., University Park.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1985
Report Number EPA-R-811037; EPA/600/J-85/384;
Stock Number PB86-199049
Additional Subjects Pattern recognition ; Molecular structure ; Reprints ; Genotoxicity ; Computer applications
Holdings
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Status
NTIS  PB86-199049 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/21/1988
Collation 17p
Abstract Often a compound's biological activity is determined by complex relationships between its structural components. Such a relationship often can only be adequately described and exploited by multivariate structure-activity relationship (SAR) studies that can deal with many variables simultaneously. Pattern recognition (PR) is a multivariate technique that is well suited for the qualitative, active-inactive, data that is often supplied by biological assays. PR studies of compounds of known activity can yield information that will allow the prediction of the activity of untested compounds. ADAPT is a computerized system that was developed for such PR-SAR studies. A general introduction to the field is presented and the methodology used for such a study is described in the context of an actual study of mutagenic compounds. The data requirements, descriptor generation, and the details of a PR study are discussed. In addition, the example study was chosen to highlight the problems that may occur if a study is not well formulated and carefully executed. Current work and future plans for computerized mutagen screening are discussed.
Supplementary Notes Pub. in Environmental Health Perspectives, v61 p329-343 1985. Sponsored by Health Effects Research Lab., Research Triangle Park, NC.
NTIS Title Notes Journal article.
Title Annotations Reprint: Computer-Assisted Studies of Molecular Structure and Genotoxic Activity by Pattern Recognition Techniques.
PUB Date Free Form c1985
Category Codes 6C; 57F
NTIS Prices PC A02/MF A01
Primary Description 600/11
Document Type NT
Cataloging Source NTIS/MT
Control Number 619920870
Origin NTIS
Type CAT