[comp.ai.shells] Expert Shells in Computational Chemistry.

imt@computing-maths.cardiff.ac.uk (I M Thomas) (08/05/90)

Hello people, I'm looking for leads to the use of A.I. in Computational
Chemistry & Chemometrics, in particular for the analysis/interpretation
of Infrared Spectra.This could involve the use of an Expert System Shell,
an A.I. language like Lisp or Prolog, a procedural language,or even a Neural
Net.Other computational methods of massaging the data could be statistical
techniques,& hooks to software methods for calculating, probabilities,
& Bayesian logic.Please post your replies on the network & I will compile
them for re-posting the results.

IAN THOMAS.