Record Display for the EPA National Library Catalog


Main Title Pattern Recognition Analysis of a Set of Mutagenic Aliphatic N-Nitrosamines.
Author Nesnow, S. ; Langenbach, R. ; Mass, M. J. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1985
Report Number EPA/600/J-85/299;
Stock Number PB86-162435
Additional Subjects Pattern recognition ; Algorithms ; Reprints ; Mutagens ; Nitrosamines ; ADAPT computer programs
Library Call Number Additional Info Location Last
NTIS  PB86-162435 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 7p
A set of 21 mutagenic aliphatic N-nitrosamines were subjected to a pattern recognition analysis using ADAPT software. Four descriptors based on molecular connectivity, geometry and sigma charge on nitrogen were capable of achieving a 100% classification using the linear learning machine or iterative least squares algorithms. Three descriptors were capable of a 90.5% and two descriptors of a 85.7% overall correct classification. Three of the four descriptors were each capable of classifying 15 of the 16 active chemicals while it required three of the four descriptors to correctly classify two of the five inactive chemicals. These results are in concert with previous observations that molecular connectivity, geometry, and sigma charge on nitrogen are powerful descriptors for separating active from inactive mutagenic and carcinogenic N-nitrosamines.