PLS-DA for compositional data with application to metabolomics

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F15%3A33152014" target="_blank" >RIV/61989592:15310/15:33152014 - isvavai.cz</a>

Alternative codes found

RIV/61989592:15110/15:33152014 RIV/00098892:_____/15:#0000906

Result on the web

<a href="http://onlinelibrary.wiley.com/doi/10.1002/cem.2657/pdf" target="_blank" >http://onlinelibrary.wiley.com/doi/10.1002/cem.2657/pdf</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/cem.2657" target="_blank" >10.1002/cem.2657</a>

Result language

angličtina

Original language name

PLS-DA for compositional data with application to metabolomics

Original language description

When quantifying information in metabolomics, the results are often expressed as data carrying only relative information. Vectors of these data have positive components, and the only relevant information is contained in the ratios between their parts; such observations are called compositional data. The aim of the paper is to demonstrate how partial least squares discriminant analysis (PLS-DA)-the most widely used method in chemometrics for multivariate classification-can be applied to compositional data. Theoretical arguments are provided, and data sets from metabolomics are investigated. The data are related to the diagnosis of inherited metabolic disorders (IMDs). The first example analyzes the significance of the corresponding regression parameters(metabolites) using a small data set resulting fromtargeted metabolomics, where just a subset of potential markers is selected. The second example-the approach of untargeted metabolomics-was used for the analysis detecting almost 500 met

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BB - Applied statistics, operational research

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Publication year

2015

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Chemometrics

ISSN

0886-9383

e-ISSN

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Volume of the periodical

29

Issue of the periodical within the volume

1

Country of publishing house

GB - UNITED KINGDOM

Number of pages

8

Pages from-to

21-28

UT code for WoS article

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EID of the result in the Scopus database

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