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METHOD FOR EXPECTING PROPERTY OF EACH MOLECULES OF COMPOUND BY USING UNDERLYING CORELATION BETWEEN MOLECULES ON PROPERTY AND MOLECULAR DESCRIPTOR OF OF STANDARD MOLECULES
METHOD FOR EXPECTING PROPERTY OF EACH MOLECULES OF COMPOUND BY USING UNDERLYING CORELATION BETWEEN MOLECULES ON PROPERTY AND MOLECULAR DESCRIPTOR OF OF STANDARD MOLECULES
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机译：利用标准分子的分子性质与分子描述子之间的相关性来预测每种化合物的性质的方法
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摘要
The present invention relates to huge made of a kind of molecule of each molecule for systematically and usually estimating physical make-up compound, molecule needed for its physical property information quickly and efficiently has reliable level of accuracy, and Chemical Problems are lacked with the information of caused physical property. This method comprises: step 1 is rapid, entire one group of compound is defined, generating molecular structure includes entire set; Second step, the entire data set of Definition of Division are divided into low set, determine standard molecule in low set; Third step, the standard obtained in the molecule of physical characteristic determine step; And four steps, it estimates any molecule of physical characteristic, is obtained using the standard molecule in following related physical performance in third step, in the second step determining molecule and any molecule. ;The 2015 of copyright KIPO submissions
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