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分析化学  2012 

MS-IAS:集成的质谱代谢组学数据分析系统

DOI: 10.3724/SP.J.1096.2012.11291, PP. 1366-1373

Keywords: 代谢组学,质谱,特征选择,分类,聚类

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Abstract:

针对代谢组学研究中的数据处理问题,本研究建立了基于质谱的数据分析系统MS-IAS(Massspectrometrybasedintegratedanalysissystem)。此系统集成了特征选择、聚类、分类等多种方法,用以处理质谱数据,具有多种统计分析方法能对所选的特征变量进行比较,以发现与所研究问题相关的潜在生物标志物。MS-IAS支持数据与多种算法结果可图形化显示,有助于对数据的解释与分析。以肝病患者的质谱代谢组数据为例,展示MS-IAS的功能,两种特征选择算法从数据集中筛选出了40个对肝病具有区分能力的特征变量,展示了MS-IAS成为代谢组学研究中的通用质谱数据分析系统的潜力。

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