MOLECULAR STRUCTURE DEVELOPMENT-SUPPORTING SYSTEM AND MOLECULAR STRUCTURE DEVELOPMENT-SUPPORTING METHOD, AND MOLECULAR STRUCTURE EXTRACTION UNIT, MOLECULAR STRUCTURE EXTRACTION METHOD AND RECORDING MEDIUM READABLE BY MOLECULAR STRUCTURE EXTRACTION PROGRAM-LOADED COMPUTER

摘要

PROBLEM TO BE SOLVED: To enable the effective performance of molecular structure development (e.g. pigment development), the evaluation of characteristics of molecular structures without needing the expertness of an operator in a short time through a simple operation. SOLUTION: The objective demand characteristics and library forming conditions are input from an input unit 1. A molecular structure extraction unit 2 forms a molecular structure library 9 by a molecular structure library forming unit 4 by means of comprehensively storing molecular structures which are theoretically allowable based on the library forming conditions. A characteristic evaluation unit 5 calculates the characteristics of the molecular structures stored in the molecular structure library 9 and evaluates the characteristics using scientific processes to extract the molecular structure which is estimated to have characteristics which matches the demand characteristics. An output unit 3 outputs the molecular structure extracted by the molecular structure extraction unit 2.