REPRESENTATION OF EXTENDED INFRARED SPECTRUM-STRUCTURE-CORRELATIONS BASED ON FUZZY THEORY

The theory of fuzzy sets was applied to specific infrared spectrum-str ucture-correlations. The scheme was translated into a rule base named CorTab (from Correlation Tables). The data are split into three main d ata files consisting of the structural information, the spectral prope rties and the cross references. The first two files contain the fragme nts and the ranges of the spectroscopic features, i.e. position, inten sity and band width, and also the empirical knowledge about the plausi bility or constraints of the correlations. The cross references assign the spectral to the structural properties and contain the connections between the fragments in the network of the fragments. The flexibilit y of the design allows the ongoing accumulation of spectrum-structure- correlations from different literature sources or the storage of compu ter derived rules. The rule base CorTab is a prerequisite for the stru cture elucidation performed by an ensemble of interpretation systems r elying on fuzzy logic. A survey of the arrangement and contents of the rule base and the procedures that transform the verbally given knowle dge into linguistic - fuzzified - variables are reported herein.