Record Display for the EPA National Library Catalog


Main Title SFILES.
Author Kinerson, R. ; Pilotte, J. ;
CORP Author Environmental Protection Agency, Washington, DC. Office of Pesticides and Toxic Substances.
Year Published 1984
Report Number EPA/SW/MT-86/004;
Stock Number PB86-140621
Additional Subjects Software ; Molecular structure ; Environmental surveys ; Hydrogen ; Fortran ; Magnetic tapes ; Chemical bonds ; Quantitative structure activity relationship ; SFILES program
Library Call Number Additional Info Location Last
NTIS  PB86-140621 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation mag tape
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. Software Description: The program is written in the FORTRAN programming language for implementation on a DEC VAX 11/780 computer using the VMS 4.1 operating system. 256K bytes of core storage are required to operate the model.