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Computing the connectivity indices of α- and β-cyclodextrins

  • Northwestern Polytechnical University Xian

科研成果: 书/报告/会议事项章节会议稿件同行评审

2 引用 (Scopus)

摘要

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.

源语言英语
主期刊名2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010
107-112
页数6
DOI
出版状态已出版 - 2010
活动2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010 - HongKong, 中国
期限: 18 12月 201021 12月 2010

出版系列

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

会议

会议2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010
国家/地区中国
HongKong
时期18/12/1021/12/10

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