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题名: An Integrated System for Mass Spectrometry Based Metabonomics Data Analysis
作者: 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
发表日期: 2012-09-01
DOI: 10.3724/SP.J.1096.2012.11291
卷: 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
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.
关键词[WOS]: MEANS CLUSTERING-ALGORITHM ;  SUPPORT VECTOR MACHINES ;  GENE SELECTION ;  SINGLE LINKAGE ;  METABOLOMICS ;  MS ;  MODEL
语种: 英语
WOS记录号: WOS:000313824600008
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/143122
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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