FAX0236@UOFT02.BITNET ("Dr. Douglas A. Smith") (11/28/88)
I am a synthetic and computational organic chemist. My research group is
working on developing several programs for use in molecular modeling. One
project just getting underway involves the development of an expert system
which will assign the three-dimensional absolute configuration of a chiral
center using the Cahn-Prelog-Ingold rules.
1. Are there any other chemists out there who read this list?
I would like to get in touch with you.
2. Does anyone know of any chemistry expert systems that are around?
Any language, any application.
3. We are using Quintus Prolog. Any comments? Can anyone suggest
the best way to interface data such as cartesian coordinates and
connectivity information which is generated by a Fortran program
to Prolog? What about ways to interface Fortran and Prolog
code in general?
4. We are also planning an expert system which will assign symmetry
elements and point groups to molecules. Comments are welcome.
I would appreciate any comments, advice, references, etc. Thanks in advance.
Dr. Douglas A. Smith
Department of Chemistry
University of Toledo
Toledo, OH 43606
Bitnet: FAX0236@UOFT02
Phone: (419)537-2116