Expertensysteme zur Unterst�tzung der analytischen Chemie: Expertensystem ?NINA? zur Methodenerstellung in der Ionenchromatographie

Abstract

Expert Systems to Assist Analytical Chemistry: Expert System NINA for Method Setup in Ion Chromatography An expert system for method setup in ion chromatography is introduced. It combines the features of method selection, so called „first guess”︁, with procedures for retention and selectivity optimization. The domain of ion chromatography is considered and structured from the point of view of an expert system. The necessary informations are gathered from various sources, and the parameters to characterize the important criteria for method setup are defined. Therefore, unique values, so called „Primzahläquivalente”︁, based on the multiplication of prime numbers are developed to describe all relevant aspects of the problem in only one variable. The knowledge is represented in databases and rulebases. The rules are built in „if ‐ then”︁ form and composed of declarations, exceptions and actions. They are combined with certainty factors to represent the probability and heuristics. Algorithms dealing with non monotone reasoning are used to find the solutions. An example for the problem solving mechanism of the expert system is given.