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Sugar chain fragmentation pattern analysis apparatus and the sugar chain fragmentation pattern analysis method

机译:糖链断裂模式分析装置和糖链断裂模式分析方法

摘要

PROBLEM TO BE SOLVED: To provide a sugar chain fragmentation pattern analyzer for analyzing a fragmentation pattern of an ionized sugar chain.;SOLUTION: The sugar chain fragmentation pattern analyzer 10 comprises an optimized structure calculation part 22 for calculating the optimized structure of the ionized sugar chain; a bonding characteristic parameter extraction part 28 for extracting a plurality of kinds of bonding characteristic parameters related to bonding strength with respect to a plurality of candidate bonds becoming the candidates of the cut places in a sugar chain from the calculation result due to the optimized structure calculation part 22; a parameter conversion part 34 for converting a plurality of kinds of the respective bonding characteristic parameter extracted by the bonding characteristic parameter extraction part 28 to bonding characteristic scores; a weighting information memory part 38 for storing weighting information showing the contribution to the bonding strengths of a plurality of kinds of bonding characteristic scores; and a total score calculation part 36 for calculating the total score of a plurality of kinds of the bonding characteristic scores in the respective candidate bonds so that a plurality of kinds of the bonding characteristic scores are weighed by weighting data.;COPYRIGHT: (C)2006,JPO&NCIPI
机译:解决的问题:提供一种用于分析离子化的糖链的断裂模式的糖链断裂模式分析器。解决方案:糖链断裂模式分析器10包括优化结构计算部分22,用于计算离子化的糖的优化结构。链;结合特性参数提取部分28,用于从由于优化的结构计算而得到的计算结果中提取与关于成为糖链中的切割位置的候选的多个候选结合键有关的结合强度有关的多种结合特性参数。第22部分;参数转换部分34,用于将结合特性参数提取部分28提取的多种各自的结合特性参数转换为结合特性分数;加权信息存储部分38,用于存储表示多种粘合特性得分对粘合强度的贡献的加权信息;总分计算部分36,用于计算各个候选键中的多种键合特征得分的总得分,以便通过加权数据对多种键合特征得分进行加权。 2006年,日本特许厅

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