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    • 4. 发明专利
    • METHOD FOR ESTIMATING PARTIAL STRUCTURE OF COMPOUND
    • JPH0267944A
    • 1990-03-07
    • JP21909788
    • 1988-09-01
    • AGENCY IND SCIENCE TECHN
    • TANABE KAZUTOSHITAMURA SADAO
    • G01N21/35
    • PURPOSE:To perform management over many rules readily without restriction on an application range by applying the relationship between the data with regard to the characteristic peak of a the infrared-ray spectrum of a known compound and a partial structure, judging the possibility of the presence of each partial structure, and obtaining the conviction of the presence with regard to the partial structure whose presence is suggested. CONSTITUTION:A user interface 1 manages the inputs of the infrared-ray spectrum data and the like of an unknown compound and the outputs of the result of inference and the like. A knowledge base management system 2 manages an inference/confidence computing part 4 and a knowledge base 5. A knowledge obtaining mechanism 3 extracts the rule which expresses the relationship between an infrared-ray spectrum and a partial structure based on the infrared-ray spectrum data of a known compound stored in a spectrum data base system. The rule is stored in the base 5. The computing part 4 applies the rule stored in the base into the input data from the interface 1 and estimates the possibility of each partial structure. The confidence of presence is computed for the partial structure whose possibility of presence is suggested. The base 5 stores the relationship between the infrared-ray spectrum and the partial structure as the rule. The rule is used for estimating the partial structure.