On Some Applications of Information Indices in Chemical Graph Theory

Information theory has been used in various branches of science. During recent years it is applied extensively in chemical graph theory for describing chemical structures and for providing good correlations between physico–chemical and structural properties by means of information indices. The appli...

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Bibliographic Details
Published inGeneral Theory of Information Transfer and Combinatorics pp. 831 - 852
Main Author Konstantinova, E. V.
Format Book Chapter
LanguageEnglish
Published Berlin, Heidelberg Springer Berlin Heidelberg 2006
SeriesLecture Notes in Computer Science
Subjects
correlating ability
discriminating power
information indices
information theory
molecular graphs
Shannon formula
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ISBN9783540462446
3540462449
ISSN0302-9743
1611-3349
DOI10.1007/11889342_53

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Summary:Information theory has been used in various branches of science. During recent years it is applied extensively in chemical graph theory for describing chemical structures and for providing good correlations between physico–chemical and structural properties by means of information indices. The application of information indices to the problem of characterizing molecular structures is presented in the paper. The information indices based on the distance in a graph are considered with respect to their correlating ability and discriminating power. Mathematics Subject Classification 2000: 94A15, 94A17, 94C15.
Bibliography:This work was partially supported by the RFBR grant 06-01-00694.
ISBN:9783540462446
3540462449
ISSN:0302-9743
1611-3349
DOI:10.1007/11889342_53