uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Chemometrics in metabonomics
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Medicinal Chemistry.
2007 (English)In: Journal of Proteome Research, ISSN 1535-3893, E-ISSN 1535-3907, Vol. 6, no 2, 469-479 p.Article, review/survey (Refereed) Published
Abstract [en]

We provide an overview of how the underlying philosophy of chemometrics is integrated throughout metabonomic studies. Four steps are demonstrated: (1) definition of the aim, (2) selection of objects, (3) sample preparation and characterization, and (4) evaluation of the collected data. This includes the tools applied for linear modeling, for example, Statistical Experimental Design (SED), Principal Component Analysis (PCA), Partial least-squares (PLS), Orthogonal-PLS (OPLS), and dynamic extensions thereof. This is illustrated by examples from the literature.

Place, publisher, year, edition, pages
2007. Vol. 6, no 2, 469-479 p.
Keyword [en]
Kinetics, Least-Squares Analysis, Metabolism, Models; Statistical, Multivariate Analysis, Proteins/*chemistry/*metabolism
National Category
Pharmaceutical Sciences Chemical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-17094DOI: 10.1021/pr060594qISI: 000243927900003PubMedID: 17269704OAI: oai:DiVA.org:uu-17094DiVA: diva2:44865
Available from: 2008-06-16 Created: 2008-06-16 Last updated: 2017-12-08Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textPubMedhttp://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Retrieve&list_uids=17269704&dopt=Citation

Authority records BETA

Lundstedt, Torbjörn

Search in DiVA

By author/editor
Lundstedt, Torbjörn
By organisation
Department of Medicinal Chemistry
In the same journal
Journal of Proteome Research
Pharmaceutical SciencesChemical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 384 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf