| 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 |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
PB86-199049 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| 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 |
