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An Integrated System for Mass Spectrometry Based Metabonomics Data Analysis
Lin Xao-Hui1; Ming Di1; Zhang Yang1; Ruan Qiang1; Wang Quan-Cai1; Zhang Rui1; Yan Kang1; Li Hong1; Li Hai-Yan1; Xu Guo-Wang2
关键词Metabolomics Mass Spectrometry Feature Selection Classification Clustering
刊名CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
2012-09-01
DOI10.3724/SP.J.1096.2012.11291
40期:9页:1366-1373
收录类别SCI ; SSCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Analytical
研究领域[WOS]Chemistry
关键词[WOS]MEANS CLUSTERING-ALGORITHM ; SUPPORT VECTOR MACHINES ; GENE SELECTION ; SINGLE LINKAGE ; METABOLOMICS ; MS ; MODEL
英文摘要Mass spectrometry (MS) data processing and analysis have become one of the bottlenecks influencing metabolomics applications. In this paper we introduce a software system, MS-IAS (mass spectrometry based integrated analysis system), for processing and analysis of MS-based metabolomics data. It contains various kinds of feature selection, clustering and classification algorithms. Several multiple statistical analysis methods are integrated in the system to compare the selected features, aiming at finding the potential biomarkers. The visualization tools are also very convenient in MS-IAS and helpful to the analysis and interpretation of the data. To demonstrate the usefulness of MS-IAS, one human liver disease metabolomics dataset was used. 40 ion features were defined by the two feature selection methods in the system. 5 fold cross validation accuracy rates show the validation of the selected features. The results show the potential of MS-IAS to become a general system for MS data processing and analysis in metabolomics.
语种英语
WOS记录号WOS:000313824600008
引用统计
被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/143122
专题中国科学院大连化学物理研究所
作者单位1.Dalian Univ Technol, Sch Comp Sci & Technol, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
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GB/T 7714
Lin Xao-Hui,Ming Di,Zhang Yang,et al. An Integrated System for Mass Spectrometry Based Metabonomics Data Analysis[J]. CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,2012,40(9):1366-1373.
APA Lin Xao-Hui.,Ming Di.,Zhang Yang.,Ruan Qiang.,Wang Quan-Cai.,...&Xu Guo-Wang.(2012).An Integrated System for Mass Spectrometry Based Metabonomics Data Analysis.CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,40(9),1366-1373.
MLA Lin Xao-Hui,et al."An Integrated System for Mass Spectrometry Based Metabonomics Data Analysis".CHINESE JOURNAL OF ANALYTICAL CHEMISTRY 40.9(2012):1366-1373.
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