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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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
Online AccessGet full text
ISBN9783540462446
3540462449
ISSN0302-9743
1611-3349
DOI10.1007/11889342_53

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Abstract 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.
AbstractList 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.
Author Konstantinova, E. V.
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Blinovsky, Vladimir
Bäumer, Lars
Ahlswede, Rudolf
Mashurian, Haik
Deppe, Christian
Aydinian, Harout
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Notes This work was partially supported by the RFBR grant 06-01-00694.
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Snippet Information theory has been used in various branches of science. During recent years it is applied extensively in chemical graph theory for describing chemical...
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StartPage 831
SubjectTerms correlating ability
discriminating power
information indices
information theory
molecular graphs
Shannon formula
Title On Some Applications of Information Indices in Chemical Graph Theory
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