Original scientific paper

https://doi.org/10.5562/cca1667

Bond Additive Modeling 5. Mathematical Properties of the Variable Sum Exdeg Index

Damir Vukičević ; Faculty of Natural Sciences and Mathematics, University of Split, Nikole Tesle 12, HR-21000 Split, Croatia

Abstract

Recently, discrete and variable Adriatic indices have been introduced and it has been shown that
the sum α -exdeg index is good predictor (when variable parameter is equal to 0.37 ) of the octanol-water
partition coefficient for octane isomers. Here, we study mathematical properties of this descriptor. Namely,
we analyze extremal graphs of this descriptor in the following classes: the class of all connected
graphs, the class of all trees, the class of all unicyclic graphs, the class of all chemical graphs, the class of
all chemical trees, the class of all chemical unicyclic graphs, the class of all graphs with given maximal
degree, the class of all graphs with given minimal degree, the class of all trees with given number of pendant
vertices, and the class of all connected graphs with given number of pendant vertices. Also, many
open problems about variable Adriatic indices are proposed. (doi: 10.5562/cca1667)

Keywords

molecular descriptor; extremal values; extremal graphs; chemical graphs; unicyclic graphs; trees

Hrčak ID:

69706

URI

https://hrcak.srce.hr/69706

Publication date:

30.5.2011.

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