Quantitative structure - Antioxidant activity relationships of flavonoid compounds

Orsolya Farkas, J. Jakus, K. Heberger

Research output: Contribution to journalArticle

100 Citations (Scopus)

Abstract

A quantitative structure - antioxidant activity relationship (QSAR) study of 36 flavonoids was performed using the partial least squares projection of latent structures (PLS) method. The chemical structures of the flavonoids have been characterized by constitutional descriptors, two-dimensional topological and connectivity indices. Our PLS model gave a proper description and a suitable prediction of the antioxidant activities of a diverse set of flavonoids having clustering tendency.

Original languageEnglish
Pages (from-to)1079-1088
Number of pages10
JournalMolecules
Volume9
Issue number12
Publication statusPublished - Dec 2004

Fingerprint

Quantitative Structure-Activity Relationship
antioxidants
Flavonoids
Antioxidants
projection
tendencies
Model structures
Least-Squares Analysis
Cluster Analysis
predictions

Keywords

  • Antioxidants
  • Chemometrics
  • Flavonoids
  • Free radicals
  • Partial least squares
  • PLS
  • QSAR

ASJC Scopus subject areas

  • Organic Chemistry

Cite this

Quantitative structure - Antioxidant activity relationships of flavonoid compounds. / Farkas, Orsolya; Jakus, J.; Heberger, K.

In: Molecules, Vol. 9, No. 12, 12.2004, p. 1079-1088.

Research output: Contribution to journalArticle

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