Novel Degree-Based Topological Descriptors of Carbon Nanotubes

Novel Degree-Based Topological Descriptors of Carbon Nanotubes

The most significant tool of mathematical chemistry is the numerical descriptor called topological index. Topological indices are extensively used in modelling of chemical compounds to analyse the studies on quantitative structure activity/property/toxicity relationships and combinatorial library vi...

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Main Authors: M. C. Shanmukha, A. Usha, M. K. Siddiqui, K. C. Shilpa, A. Asare-Tuah
Format: Article
Language:English
Published: Hindawi Limited 2021-01-01
Series:Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2021/3734185
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spelling doaj-0a43ff608fe446c09fafc1225e085f5e2021-09-20T00:29:22ZengHindawi LimitedJournal of Chemistry2090-90712021-01-01202110.1155/2021/3734185Novel Degree-Based Topological Descriptors of Carbon NanotubesM. C. Shanmukha0A. Usha1M. K. Siddiqui2K. C. Shilpa3A. Asare-Tuah4Department of MathematicsDepartment of MathematicsDepartment of MathematicsDepartment of Computer Science and EngineeringDepartment of MathematicsThe most significant tool of mathematical chemistry is the numerical descriptor called topological index. Topological indices are extensively used in modelling of chemical compounds to analyse the studies on quantitative structure activity/property/toxicity relationships and combinatorial library virtual screening. In this work, an attempt is made in defining three novel descriptors, namely, neighborhood geometric-harmonic, harmonic-geometric, and neighborhood harmonic-geometric indices. Also, the aforementioned three indices along with the geometric-harmonic index are tested for physicochemical properties of octane isomers using linear regression models and computed for some carbon nanotubes.http://dx.doi.org/10.1155/2021/3734185
collection DOAJ
language English
format Article
sources DOAJ
author M. C. Shanmukha
A. Usha
M. K. Siddiqui
K. C. Shilpa
A. Asare-Tuah
spellingShingle M. C. Shanmukha
A. Usha
M. K. Siddiqui
K. C. Shilpa
A. Asare-Tuah
Novel Degree-Based Topological Descriptors of Carbon Nanotubes
Journal of Chemistry
author_facet M. C. Shanmukha
A. Usha
M. K. Siddiqui
K. C. Shilpa
A. Asare-Tuah
author_sort M. C. Shanmukha
title Novel Degree-Based Topological Descriptors of Carbon Nanotubes
title_short Novel Degree-Based Topological Descriptors of Carbon Nanotubes
title_full Novel Degree-Based Topological Descriptors of Carbon Nanotubes
title_fullStr Novel Degree-Based Topological Descriptors of Carbon Nanotubes
title_full_unstemmed Novel Degree-Based Topological Descriptors of Carbon Nanotubes
title_sort novel degree-based topological descriptors of carbon nanotubes
publisher Hindawi Limited
series Journal of Chemistry
issn 2090-9071
publishDate 2021-01-01
description The most significant tool of mathematical chemistry is the numerical descriptor called topological index. Topological indices are extensively used in modelling of chemical compounds to analyse the studies on quantitative structure activity/property/toxicity relationships and combinatorial library virtual screening. In this work, an attempt is made in defining three novel descriptors, namely, neighborhood geometric-harmonic, harmonic-geometric, and neighborhood harmonic-geometric indices. Also, the aforementioned three indices along with the geometric-harmonic index are tested for physicochemical properties of octane isomers using linear regression models and computed for some carbon nanotubes.
url http://dx.doi.org/10.1155/2021/3734185
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AT mksiddiqui noveldegreebasedtopologicaldescriptorsofcarbonnanotubes
AT kcshilpa noveldegreebasedtopologicaldescriptorsofcarbonnanotubes
AT aasaretuah noveldegreebasedtopologicaldescriptorsofcarbonnanotubes
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