期刊
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
卷 108, 期 1, 页码 23-32出版社
ELSEVIER
DOI: 10.1016/j.chemolab.2011.03.010
关键词
Metabolomics; Liquid chromatography coupled with mass spectrometry (LC-MS); Biological data; Data preprocessing software
Metabolomics encompasses the study of small molecules in a biological sample. Liquid Chromatography coupled with Mass Spectrometry (LC-MS) profiling is an important approach for the identification and quantification of metabolites from complex biological samples. The amount and complexity of data produced in an LC-MS profiling experiment demand automatic tools for the preprocessing, analysis, and extraction of useful biological information. Data preprocessing-a topic that covers noise filtering, peak detection, deisotoping, alignment, identification, and normalization-is thus an active area of metabolomics research. Recent years have witnessed development of many software for data preprocessing, and still there is a need for further improvement of the data preprocessing pipeline. This review presents an overview of selected software tools for preprocessing LC-MS based metabolomics data and tries to provide future directions. (c) 2011 Elsevier B.V. All rights reserved.
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