EXPIRS, an expert system for generation of alternative sets of substructures, derived by infrared spectra interpretation

An improved version of the expert system for infrared spectra interpretation, EXPIRS, was created. A new algorithm for the generation of alternative sets of substructures was proposed on the basis of the PROLOG inference engine, that implements simultaneously the control of the number of utilizations of the spectral bands, and the hierarchical organization of the knowledge base. Two different types of hierarchical relations have been formulated in order to realize a typical heuristic for the human expert — preliminary inspection of the spectrum. The dependence between the heuristics implemented and the number and size of the alternatives generated is discussed.