Journal
ANALYTICA CHIMICA ACTA
Volume 914, Issue -, Pages 17-34Publisher
ELSEVIER
DOI: 10.1016/j.aca.2016.02.001
Keywords
Metabolomics; Chemometrics; Biomarker; Identification of metabolites; Data preprocessing; Modeling
Categories
Funding
- National Nature Foundation Committee of P.R. China [21465016, 21473257]
- Science and Technological Program for Dongguan's Higher Education, Science and Research
- Health Care Institutions [2012108102032]
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This review focuses on recent and potential advances in chemometric methods in relation to data processing in metabolomics, especially for data generated from mass spectrometric techniques. Metabolomics is gradually being regarded a valuable and promising biotechnology rather than an ambitious advancement. Herein, we outline significant developments in metabolomics, especially in the combination with modern chemical analysis techniques, and dedicated statistical, and chemometric data analytical strategies. Advanced skills in the preprocessing of raw data, identification of metabolites, variable selection, and modeling are illustrated. We believe that insights from these developments will help narrow the gap between the original dataset and current biological knowledge. We also discuss the limitations and perspectives of extracting information from high-throughput datasets. (C) 2016 Elsevier B.V. All rights reserved.
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