Kinerson, R. ;
Pilotte, J. ;
||Environmental Protection Agency, Washington, DC. Office of Pesticides and Toxic Substances.
Molecular structure ;
Environmental surveys ;
Magnetic tapes ;
Chemical bonds ;
Quantitative structure activity relationship ;
||Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy.
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.