| Main Title |
SMILES, a line notation and computerized interpreter for chemical structures / |
| Author |
Anderson, Eric, ;
Veith, G. D. ;
Weininger, D.
|
| Other Authors |
|
| CORP Author |
Environmental Research Lab.-Duluth, MN. ;Computer Sciences Corp., Falls Church, VA. |
| Publisher |
U.S. Environmental Protection Agency, Environmental Research Laboratory, |
| Year Published |
1987 |
| Report Number |
EPA/600-M-87-021 |
| Stock Number |
PB88-130034 |
| OCLC Number |
20862752 |
| Subjects |
Chemical structure--Computer programs
|
| Additional Subjects |
Computer graphics ;
Molecular structure ;
Computer techniques ;
Chemical structures ;
SMILES ;
Line notations
|
| Internet Access |
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| EHAM |
EPA/600/M-87/021 |
|
Region 1 Library/Boston,MA |
05/25/2016 |
| EJAD |
EPA 600/M-87-021 |
|
Region 3 Library/Philadelphia, PA |
03/20/1992 |
| EJBD |
EPA 600-M-87-021 |
c.1-2 |
Headquarters Library/Washington,DC |
11/01/2013 |
| EKBD |
EPA-600/M-87-021 |
|
Research Triangle Park Library/RTP, NC |
08/23/2010 |
| ELBD ARCHIVE |
EPA 600-M-87-021 |
In Binder Received from HQ |
AWBERC Library/Cincinnati,OH |
10/04/2023 |
| ELBD RPS |
EPA 600-M-87-021 |
repository copy |
AWBERC Library/Cincinnati,OH |
10/17/2014 |
| NTIS |
PB88-130034 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
4 pages : illustrations ; 28 cm. |
| Abstract |
A line notation syntax and software interpreter for specifying chemical structures on small and large computers is presented. The Simplified Molecular Identification and Line Entry System, SMILES, contains the advantages of line notations for specifying structures but avoids the complexity of rules found in notations such as WLN. By encoding many chemical 'rules' into the interpreter, SMILES can be used to define molecular topology with five simple conventions. |
| Notes |
"August 1987." Includes bibliographical references (page 4). "EPA/600-M-87-021." |
