Affiliation:
1. Institute of Mathematics and Computer Science, Tongling College, Tongling 244000,China
2. Department of Mathematics, COMSATS University Islamabad, Lahore Campus, 54000,Pakistan
Abstract
Background:
Sierpinski graphs !(!, !) are largely studied because of their fractal
nature with applications in topology, chemistry, mathematics of Tower of Hanoi and computer
sciences. Applications of molecular structure descriptors are a standard procedure which are used
to correlate the biological activity of molecules with their chemical structures, and thus can be
helpful in the field of pharmacology.
Objective:
The aim of this article is to establish analytically closed computing formulae for
eccentricity-based descriptors of Sierpinski networks and their regularizations. These computing
formulae are useful to determine a large number of properties like thermodynamic properties,
physicochemical properties, chemical and biological activity of chemical graphs.
Methods:
At first, vertex sets have been partitioned on the basis of their degrees, eccentricities and
frequencies of occurrence. Then these partitions are used to compute the eccentricity-based indices
with the aid of some combinatorics.
Results:
The total eccentric index and eccentric-connectivity index have been computed. We also
compute some eccentricity-based Zagreb indices of the Sierpinski networks. Moreover, a
comparison has also been presented in the form of graphs.
Conclusion:
These computations will help the readers to estimate the thermodynamic properties
and physicochemical properties of chemical structure which are of fractal nature and can not be
dealt with easily. A 3D graphical representation is also presented to understand the dynamics of the
aforementioned topological descriptors.
Funder
Anhui Natural Science Research Project
Top-Notch Talents Cultivation Project of Anhui Higher Education
Publisher
Bentham Science Publishers Ltd.
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery,General Medicine
Cited by
4 articles.
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