Quantitative structure - Antioxidant activity relationships of flavonoid compounds

被引：122

作者：

Farkas, O ^{[1
]}

Jakus, J ^{[1
]}

Heberger, K ^{[1
]}

机构：

[1] Hungarian Acad Sci, Chem Res Ctr, Biooxidat Grp, H-1525 Budapest, Hungary

来源：

MOLECULES | 2004年 / 9卷 / 12期

关键词：

antioxidants; free radicals; flavonoids; QSAR; chemometrics; partial least squares; PLS;

D O I：

10.3390/91201079

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：1079 / 1088

页数：10

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