PLS/OPLS models in metabolomics: the impact of permutation of dataset rows on the K-fold cross-validation quality parameters-Reference-Cited by-同舟云学术

PLS/OPLS models in metabolomics: the impact of permutation of dataset rows on the K-fold cross-validation quality parameters

Published:2015 Issue:1 Volume:11 Page:13-19
ISSN:1742-206X
Container-title:Molecular BioSystems
language:en
Short-container-title:Mol. BioSyst.

Author:

Triba Mohamed N.¹²³⁴⁵,Le Moyec Laurence⁶⁷⁸⁹¹⁰,Amathieu Roland¹¹¹²¹³¹⁴¹⁵,Goossens Corentine¹²³⁴⁵,Bouchemal Nadia¹²³⁴⁵,Nahon Pierre¹⁶¹⁷¹⁴¹⁸¹⁰,Rutledge Douglas N.¹⁹²⁰²¹¹⁰,Savarin Philippe¹²³⁴⁵

Affiliation:

1. Université Paris 13

2. Sorbonne Paris Cité

3. Laboratoire Chimie

4. Structures

5. Propriétés de Biomatériaux et d'Agents Thérapeutiques (CSPBAT)

6. Université d'Evry Val d'Essonne

7. Unité de Biologie Intégrative des Adaptations à l'Exercice (UBIAE), U902, INSERM

8. Bd François Mitterrand

9. 91025 Evry Cedex

10. France

11. Service d'Anesthésie et des Réanimations Chirurgicales

12. Université Paris 12

13. Hôpital Henri Mondor

14. Assistance Publique des Hôpitaux de Paris (AP-HP)

15. Créteil

16. Service d'Hépatologie et Université Paris 13

17. Hôpital Jean Verdier

18. 93143 Bondy Cedex

19. Laboratoire de Chimie Analytique

20. AgroParisTech

21. 75231 Paris

Abstract

In some cases, quality parameter values (the number of significant components,Q², CV-ANOVAp-value,…) of PLS/OPLS models calculated with K-fold cross-validation can be strongly determined by the composition of the different validation subsets.

Publisher

Royal Society of Chemistry (RSC)

Subject

Molecular Biology,Biotechnology

Link

http://pubs.rsc.org/en/content/articlepdf/2015/MB/C4MB00414K

Reference24 articles.

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2. MetaboAnalyst 2.0--a comprehensive server for metabolomic data analysis

3. MVAPACK: A Complete Data Handling Package for NMR Metabolomics

4. Notes on the practical utility of OPLS

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