| Main Title |
Computer Assisted Studies of Structure-Activity Relations Using Pattern Recognition. |
| Author |
Jurs, P. C. ;
|
| CORP Author |
National Science Foundation, Washington, DC.;Health Effects Research Lab., Research Triangle Park, NC. |
| Year Published |
1983 |
| Stock Number |
PB86-197829 |
| Additional Subjects |
Pattern recognition ;
Drugs ;
Reprints ;
Computer applications ;
Structure activity relations ;
Molecular structure ;
Biological activity
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
PB86-197829 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
13p |
| Abstract |
Structure-activity relationships (SAR) can be investigated for large sets of biologically active compounds using computer-assisted methods. The combination of chemical structure information handling, molecular mechanics model building, substructure searching, and related methods along with pattern recognition and statistical analysis provided an approach to SAR studies. An interactive computer software system, called ADAPT, has been implemented to automate the approach to SAR studies and to allow its application to large sets of organic compounds. A number of SAR studies have been performed using ADAPT, including studies of pharmaceuticals, anti-tumor compounds, olfactory stimulants, and genotoxic compounds (mutagenic or carcinogenic compounds). Results of two studies are discussed in detail: a study of 9-anilino-acridine anti-tumor compounds, and a study of N-nitroso carcinogens. |
| Supplementary Notes |
Pub. in Drug Information Jnl., v17 n4 p219-229 Nov 83. Sponsored by Health Effects Research Lab., Research Triangle Park, NC. |
| NTIS Title Notes |
Journal article. |
| Title Annotations |
Reprint: Computer Assisted Studies of Structure-Activity Relations Using Pattern Recognition. |
| PUB Date Free Form |
1983 |
| Category Codes |
6O; 57Q |
| NTIS Prices |
PC A02/MF A01 |
| Primary Description |
600/11 |
| Document Type |
NT |
| Cataloging Source |
NTIS/MT |
| Control Number |
621321899 |
| Origin |
NTIS |
| Type |
CAT |
