METHOD AND DEVICE FOR CONSTRUCTING KNOWLEDGE BASE, RECORDING MEDIUM WITH PROGRAM FOR CONSTRUCTING KNOWLEDGE BASE RECORDED THEREON, AND MEDIUM FOR RECORDING DATA

摘要

PROBLEM TO BE SOLVED: To construct a knowledge base suitable for structure estimation of an organic compound and the like using a 2D-NMR spectrum. SOLUTION: A moiety where one or more of carbon atoms bonded with a proton lie is grasped as an integrated indivisible moiety in fractional structure in structure of an organic compound, and a non-main fraction neihboring to one main fraction as the center is made to be served as one fractional structure. The fractional structure is extracted from a compound database 2 accumulated with structural information and 1H-NMR-spectral information as to each of a large number of organic compounds by a fractional structure extracting means 12, a modification bond table described with structural information in every fractional structure and two-dimensional proton NMR information is generated by a modification bond table generating means 13, and a registration updating means 14 stores it into the knowledge base 3.