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1.发明申请ESTIMATION OF PROTEIN-COMPOUND INTERACTION AND RATIONAL DESIGN OF COMPOUND LIBRARY BASED ON CHEMICAL GENOMIC INFORMATION 有权基于化学基因信息的蛋白质复合物相互作用和化合物图谱的设计设计公开(公告)号：US20100099891A1
公开(公告)日：2010-04-22
申请号：US12274744
申请日：2008-11-20
Applicant: Yasushi OKUNO , Kei TANEISHI , Gozoh TSUJIMOTO
Inventor： Yasushi OKUNO , Kei TANEISHI , Gozoh TSUJIMOTO
CPC classification number: C40B50/02 , G06F19/16 , G06F19/24 , G06F19/706 , G06N99/005
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.
Abstract translation: 使用化学物质信息（例如化合物的化学性质）和生物信息（例如基因的序列信息）的化合物 - 蛋白质相互作用的估计的数据处理方法，以合理且有效地筛选化合物。 定义表示第一化学物质组的空间坐标的第一空间和表示第二化学物质组的空间坐标的第二空间，第一化学物质组的特征在于第一特征量，第二化学物质组的特征在于第二化学物质组 特征量和第一空间的坐标和第二空间的坐标的地图变换得到解，从而使用多变量分析技术或机器学习方法来增加第一空间和第二空间之间的相关性。
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2.发明授权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公开(公告)号：US08949157B2
公开(公告)日：2015-02-03
申请号：US12274744
申请日：2008-11-20
Applicant: Yasushi Okuno , Kei Taneishi , Gozoh Tsujimoto
Inventor： Yasushi Okuno , Kei Taneishi , Gozoh Tsujimoto
CPC classification number: C40B50/02 , G06F19/16 , G06F19/24 , G06F19/706 , G06N99/005
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.
Abstract translation: 使用化学物质信息（例如化合物的化学性质）和生物信息（例如基因的序列信息）的化合物 - 蛋白质相互作用的估计的数据处理方法，以合理且有效地筛选化合物。 定义表示第一化学物质组的空间坐标的第一空间和表示第二化学物质组的空间坐标的第二空间，第一化学物质组的特征在于第一特征量，第二化学物质组的特征在于第二化学物质组 特征量和第一空间的坐标和第二空间的坐标的地图变换得到解，从而使用多变量分析技术或机器学习方法来增加第一空间和第二空间之间的相关性。
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