metaP-Server: A Web-Based Metabolomics Data Analysis Tool
metaP-Server: A Web-Based Metabolomics Data Analysis Tool
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DOI：
10.1155/2011/839862
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发表时间：
2011-01-01
影响因子：
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通讯作者：
Suhre, Karsten
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文献类型：
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作者：
Kastenmueller, Gabi;Roemisch-Margl, Werner;Suhre, Karsten
代谢组学是一个新兴领域，它基于对生物样品中尽可能多的小有机分子的定量测量。由于最近的技术进步，代谢组学现在可以作为一种分析高通量技术广泛应用于药物测试、流行病学代谢组和全基因组关联研究中。与基于芯片的基因表达分析类似，现代基于试剂盒的代谢组学实验产生的大量数据对各种样本表型背景下的生物学解释提出了新的挑战。我们开发了metaP-server来促进数据解释。 metaP-server 为定量代谢组学数据提供自动化和标准化的数据分析，涵盖从数据采集到生物学解释的以下步骤：(i) 数据质量检查，(ii) 再现性和批次效应估计，(iii) 多个分类表型的假设检验，(iv) 度量表型的相关性检验，(v) 可选地包括所有可能的代谢物浓度对 (vi) 主成分分析 (PCA)，以及 (vii) 将代谢物映射到彩色 KEGG 通路图上。图形输出可点击并与样品和代谢物标识符交叉链接。按表型对 PCA 和条形图进行交互式着色，有助于在线数据探索。对于商业代谢组学试剂盒的用户，提供了 HMDB、LipidMaps、KEGG、PubChem 和 CAS 数据库的交叉引用。 metaP-server 可在 http://metabolomics.helmholtz-muenchen.de/metap2/ 上免费访问。
Metabolomics is an emerging field that is based on the quantitative measurement of as many small organic molecules occurring in a biological sample as possible. Due to recent technical advances, metabolomics can now be used widely as an analytical high-throughput technology in drug testing and epidemiological metabolome and genome wide association studies. Analogous to chip-based gene expression analyses, the enormous amount of data produced by modern kit-based metabolomics experiments poses new challenges regarding their biological interpretation in the context of various sample phenotypes. We developed metaP-server to facilitate data interpretation. metaP-server provides automated and standardized data analysis for quantitative metabolomics data, covering the following steps from data acquisition to biological interpretation: (i) data quality checks, (ii) estimation of reproducibility and batch effects, (iii) hypothesis tests for multiple categorical phenotypes, (iv) correlation tests for metric phenotypes, (v) optionally including all possible pairs of metabolite concentration ratios, (vi) principal component analysis (PCA), and (vii) mapping of metabolites onto colored KEGG pathway maps. Graphical output is clickable and cross-linked to sample and metabolite identifiers. Interactive coloring of PCA and bar plots by phenotype facilitates on-line data exploration. For users of commercial metabolomics kits, cross-references to the HMDB, LipidMaps, KEGG, PubChem, and CAS databases are provided. metaP-server is freely accessible at http://metabolomics.helmholtz-muenchen.de/metap2/.