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Current Pharmaceutical Biotechnology

Editor-in-Chief

ISSN (Print): 1389-2010
ISSN (Online): 1873-4316

From Data Processing to Multivariate Validation - Essential Steps in Extracting Interpretable Information from Metabolomics Data

Author(s): Mattias Eliasson, Stefan Rannar and Johan Trygg

Volume 12, Issue 7, 2011

Page: [996 - 1004] Pages: 9

DOI: 10.2174/138920111795909041

Price: $65

Abstract

In metabolomics studies there is a clear increase of data. This indicates the necessity of both having a battery of suitable analysis methods and validation procedures able to handle large amounts of data. In this review, an overview of the metabolomics data processing pipeline is presented. A selection of recently developed and most cited data processing methods is discussed. In addition, commonly used chemometric and machine learning analysis methods as well as validation approaches are described.

Keywords: Multivariate data analysis, data processing, chemometrics, metabolomics, statistical validation, validation procedures, chemometric and machine learning analysis, NMR, downstream data analysis, Filtration, non-linear regression method


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