2012
DOI: 10.1007/978-1-61779-585-5_16
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Statistical Methods in Metabolomics

Abstract: Metabolomics is the relatively new field in bioinformatics that uses measurements on metabolite abundance as a tool for disease diagnosis and other medical purposes. Although closely related to proteomics, the statistical analysis is potentially simpler since biochemists have significantly more domain knowledge about metabolites. This chapter reviews the challenges that metabolomics poses in the areas of quality control, statistical metrology, and data mining.

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Cited by 30 publications
(28 citation statements)
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“…Preliminary analysis includes usage of mathematical computing for chromatographic peak retention time alignment between individual analyses. After utilization of this procedure various statistical calculations may be performed in order to quantify the amounts of metabolites, which enables determining the changes of a particular compound in defined conditions (van den Berg et al 2006;Goodacre et al 2007;Korman et al 2012;Weckwerth and Kahl 2013).…”
Section: Instrumentation Applied In Proteomic and Metabolomic Studiesmentioning
confidence: 99%
“…Preliminary analysis includes usage of mathematical computing for chromatographic peak retention time alignment between individual analyses. After utilization of this procedure various statistical calculations may be performed in order to quantify the amounts of metabolites, which enables determining the changes of a particular compound in defined conditions (van den Berg et al 2006;Goodacre et al 2007;Korman et al 2012;Weckwerth and Kahl 2013).…”
Section: Instrumentation Applied In Proteomic and Metabolomic Studiesmentioning
confidence: 99%
“…Any deviation in how and how long a sample is extracted, quenched, and stored can greatly impact the measured analytes [8,9]. Standards bias represents the effects that different standards have on deriving some absolute or even relative quantification from a measurement.…”
Section: Introductionmentioning
confidence: 99%
“…However, application of this strategy is often specific to the analytical technique and instrumentation. With each sample in its own tube or vial, periodic controls or time-stamped near-random controls (random except to prevent neighbor effects) can be used to track analytical conditions during measurement [9]. For samples handled on plates, Latin square or 2D near-random patterns can be used [9].…”
Section: Introductionmentioning
confidence: 99%
“…59,60 Briefly, metabolic profiling is usually performed in a two-step fashion: 1) a combination of gas and/or lipid chromatography is used to separate metabolites followed by 2) mass spectroscopy or nuclear magnetic resonance (NMR) mass spectroscopy for quantification. Untargeted metabolic profiling is designed to measure all metabolites in a given sample, while targeted profiling is designed to identify a fixed subset of metabolites of interest.…”
Section: Metabolic Changes As Biomarkers In Sepsismentioning
confidence: 99%