| 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 |
Checkout
Status |
| NTIS |
PB87-203188 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| 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.) |
