Main Title |
SFILES. User's Guide (Draft). |
CORP Author |
General Software Corp., Landover, MD.;Environmental Protection Agency, Washington, DC. Office of Pesticides and Toxic Substances. |
Year Published |
1984 |
Report Number |
EPA-68-02-3970; |
Stock Number |
PB86-140639 |
Additional Subjects |
Molecular structure ;
Environmental surveys ;
Hydrogen ;
Chemical bonds ;
Quantitative structure activity relationship ;
SFILES programming language ;
User manuals(Computer programs)
|
Holdings |
Library |
Call Number |
Additional Info |
Location |
Last Modified |
Checkout Status |
NTIS |
PB86-140639 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
Collation |
40p |
Abstract |
SFILES is a program for entering molecular structures and storing them in a connection table form on a disk file for later use in Quantitative Structure Activity Relationship studies (QSAR). The user may enter a structure by drawing its hydrogen suppressed representation on a TEKTRONIX 4014 or compatible graphics terminal; or by building the connection table via one of two terminal independent structure entry systems. The graphical method of structure entry is the default method used in the program, and is the method which allows the user the most versatility in structure entry. Use of the graphical method is described in the main part of this user's guide. The two terminal independent structure entry methods, SMILES and SENTRY, are described in Appendices A and B respectively of this user's guide. Implementation of the SENTRY method is not yet complete. It is anticipated that the implementation will be completed and Appendix B available by December 1984. |
Supplementary Notes |
For system on magnetic tape, see PB86-140621. Sponsored by Environmental Protection Agency, Washington, DC. Office of Pesticides and Toxic Substances. |
PUB Date Free Form |
28 Aug 84 |
Category Codes |
7D; 9B; 99F; 68; 62 |
NTIS Prices |
PC A03/MF A01 |
Primary Description |
500/00 |
Document Type |
NT |
Cataloging Source |
NTIS/MT |
Control Number |
607220667 |
Origin |
NTIS |
Type |
CAT |