Invention Grant
US08949157B2 Estimation of protein-compound interaction and rational design of compound library based on chemical genomic information 有权
基于化学基因组信息的蛋白质 - 化合物相互作用的估计和化合物库的合理设计

Estimation of protein-compound interaction and rational design of compound library based on chemical genomic information
Abstract:
A data processing method for an estimation of compound-protein interaction using both chemical substance information, such as a chemical property of the compound, and biological information, such as sequence information of genes to rationally and efficiently screen compounds. First space representing space coordinates of a first chemical substance group and second space representing space coordinates of a second chemical substance group are defined, and the first chemical substance group is characterized by a first characteristic amount and the second chemical substance group is characterized by a second characteristic amount, and map transformation of the coordinates of the first space and the coordinates of the second space results in the solution so as to increase the correlation between the first space and the second space using a multivariable analysis technique or a machine learning method.
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