METHOD FOR EXPECTING PROPERTY OF EACH MOLECULES OF COMPOUND BY USING UNDERLYING CORELATION BETWEEN MOLECULES ON PROPERTY AND MOLECULAR DESCRIPTOR OF OF STANDARD MOLECULES

摘要

The present invention relates to a method for systematically and generally estimating physical properties of each molecule constituting a compound made of enormous molecules, which obtains physical property information of a desired molecule quickly and efficiently with a reliable level of accuracy, and provides an alternative to the problems of chemical industry caused by the lack of physical property information. The method comprises: a first step of defining the entire set of compounds, and generating molecular structures included in the entire set; a second step of dividing the defined entire set into lower sets, and determining standard molecules within the lower sets; a third step of acquiring physical properties of the standard molecules determined in the second step; and a fourth step of estimating physical properties of any molecule using an underlying correlation among the physical properties of the standard molecules acquired in the third step, the standard molecules determined in the second step and any molecule.