首页> 外国专利> METHOD FOR EXTRACTING LEAD COMPOUND, METHOD FOR SELECTING DRUG DISCOVERY TARGET, DEVICE FOR CREATING SCATTER DIAGRAM, AND DATA VISUALIZATION METHOD AND VISUALIZATION DEVICE

METHOD FOR EXTRACTING LEAD COMPOUND, METHOD FOR SELECTING DRUG DISCOVERY TARGET, DEVICE FOR CREATING SCATTER DIAGRAM, AND DATA VISUALIZATION METHOD AND VISUALIZATION DEVICE

机译:提取铅化合物的方法,选择药物发现目标的方法,用于创建散射图的设备以及数据可视化方法和可视化设备

摘要

A method for extracting a lead compound from a plurality of compounds against a drug discovery target, includes the steps of creating a scatter diagram for a plurality of compounds by disposing symbols representing the compounds according to a plurality of features of the compounds and extracting a lead compound from the compounds represented by the symbols disposed in a predetermined region of the scatter diagram. The locations of the symbols to be disposed on the scatter diagram are determined according to first and second features (for example, selectivity and activity) of the respective compounds, and attributes (for example, color and size) of the symbols are determined according to third and fourth features (for example, molecular weight and ligand efficiency) of the respective compounds.
机译:一种从多种化合物中针对一种药物发现目标物提取一种铅化合物的方法,该方法包括以下步骤:通过根据化合物的多个特征布置代表该化合物的符号并提取一种铅,来为多种化合物创建散布图由散布图的预定区域中由符号表示的化合物表示的化合物。根据各个化合物的第一和第二特征(例如,选择性和活性)确定要在散点图上放置的符号的位置,并根据以下信息确定符号的属性(例如颜色和大小)各自化合物的第三和第四特征(例如分子量和配体效率)。

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