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COMPOUND DESIGN DEVICE, COMPOUND DESIGN METHOD, AND COMPOUND DESIGN PROGRAM

机译:复合设计装置,复合设计方法和复合设计程序

摘要

To provide a compound design device, compound design method, compound design program allowing an efficient medical product search in a wide range.SOLUTION: A compound design device 1 for designing a compound using compound data includes: a partial structure selection unit 4 for selecting any partial structure of the compound; a partial structure detection unit 5 for detecting, from the compound data, a partial structure co-occurring with the partial structure selected by the partial structure selection unit 4; and a co-occurrence quantifying unit 6 for quantifying the degree of the co-occurrence regarding the plurality of partial structures detected by the partial structure detection unit 5.SELECTED DRAWING: Figure 1
机译:为了提供一种化合物设计装置,化合物设计方法,化合物设计程序,从而可以在宽范围内有效地搜索医疗产品。解决方案:一种用于使用化合物数据设计化合物的化合物设计装置1包括:用于选择任何化合物的部分结构选择单元4化合物的部分结构;局部结构检测单元5,用于从复合数据中检测与由局部结构选择单元4选择的局部结构同时发生的局部结构;共现量化单元6,用于量化由部分结构检测单元5检测到的多个部分结构的共现程度。

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