Analogy and Intelligence in Model Building
W. Todd Wipke, Mathew A. Hahn · ACS symposium series · 1986
This paper describes a new approach to building molecular models using methods of expert systems. We are applying symbolic reasoning to a problem previously only approached numerically. The goals of this project were to develop a rapid model builder that mimicked the manual process used by chemists. A further aim was to provide a justification for the model as a chemist would justify a particular conformation. The AIMB algorithm reported here is extremely fast and has a complexity that increases linearly with the number of atoms in the model.