Classification of flavonoid compounds by using entropy of information theory

Phytochemistry. 2013 Sep:93:182-91. doi: 10.1016/j.phytochem.2013.03.024. Epub 2013 May 3.


A total of 74 flavonoid compounds are classified into a periodic table by using an algorithm based on the entropy of information theory. Seven features in hierarchical order are used to classify structurally the flavonoids. From these features, the first three mark the group or column, while the last four are used to indicate the row or period in a table of periodic classification. Those flavonoids in the same group and period are suggested to show maximum similarity in properties. Furthermore, those with only the same group will present moderate similarity. In this report, the flavonoid compounds in the table, whose experimental data in bioactivity and antioxidant properties have been previously published, are related.

Keywords: Antioxidant activity; Flavonoid; Information entropy; Molecular classification; Polyphenol.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Antioxidants / chemistry*
  • Entropy*
  • Flavonoids / chemistry*
  • Information Theory*
  • Molecular Structure
  • Principal Component Analysis


  • Antioxidants
  • Flavonoids