Variable Neighborhood Search for Extremals Graphs 10. Comparison of Irregularity Indices for Chemical Trees

[en] Chemical graphs, as other ones, are regular if all their vertices have the same degree. Otherwise, they are irregular, and it is of interest to measure their irregularity both for descriptive purposes and for QSAR/ QSPR studies. Three indices have been proposed in the literature for that purpose: those of Collatz-Sinogowitz, of Albertson, and of Bell's variance of degrees. We study their properties for the case of chemical trees. Structural conjectures are generated with the system AutoGraphiX, and most of them proved later by mathematical means. Analytical expressions for extremal values are obtained, and extremal graphs are characterized for the two last indices.

Disciplines :

Mathematics

Author, co-author :

Gutman, I.

Hansen, P.

Mélot, Hadrien ; Université de Mons > Faculté des Sciences > Informatique théorique

Language :

English

Title :

Variable Neighborhood Search for Extremals Graphs 10. Comparison of Irregularity Indices for Chemical Trees

Publication date :

09 February 2005

Journal title :

Journal of Chemical Information and Modeling

ISSN :

1549-9596

eISSN :

1549-960X

Publisher :

American Chemical Society, United States - District of Columbia

Volume :

Pages :

222-230

Peer reviewed :

Peer Reviewed verified by ORBi

Research unit :

S825 - Algorithmique

Available on ORBi UMONS :

since 10 July 2010

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