Computing the connectivity indices of α- and β-cyclodextrins

Wu Jiang, Shenggui Zhang

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Scopus citations

Abstract

Graph theory was successfully applied in developing a relationship between chemical structure and biological activity. The m-connectivity index of a graph G is defined 1 to be mχ(G) = Σv1v2 ⋯ vm+1 (dv1 dv2 ⋯ dv m+2)-1/2,where v. v. ⋯ vm. .runs over all paths of length m in G and di is the degree of vertex v i. Cyclodextrins are a family of compounds widely used in food, pharmaceutical, and chemical industries. In this paper we give explicit formulas for computing the first-, secondo, and third-order connectivity indices of the molecular graphs of two classes of cyclodextrins, namely α-cyclodextrin and β-cyclodextrin. These formulas are helpful in the study of the relationship between the structure and activity of these cyclodextrins.

Original languageEnglish
Title of host publication2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010
Pages107-112
Number of pages6
DOIs
StatePublished - 2010
Event2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010 - HongKong, China
Duration: 18 Dec 201021 Dec 2010

Publication series

Name2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010

Conference

Conference2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010
Country/TerritoryChina
CityHongKong
Period18/12/1021/12/10

Keywords

  • α-cyclodextrin
  • β-cyclodextrin
  • Connectivity index
  • Molecular graph

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