Record Display for the EPA National Library Catalog


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)
Library Call Number Additional Info Location Last
NTIS  PB86-140639 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 40p
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.