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: | , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2021-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2021/3734185 |
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| author | M. C. Shanmukha A. Usha M. K. Siddiqui K. C. Shilpa A. Asare-Tuah |
| author_facet | M. C. Shanmukha A. Usha M. K. Siddiqui K. C. Shilpa A. Asare-Tuah |
| author_sort | M. C. Shanmukha |
| collection | DOAJ |
| 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. |
| format | Article |
| id | doaj-art-0a43ff608fe446c09fafc1225e085f5e |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2021-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-0a43ff608fe446c09fafc1225e085f5e2025-02-03T01:24:45ZengWileyJournal of Chemistry2090-90632090-90712021-01-01202110.1155/2021/37341853734185Novel Degree-Based Topological Descriptors of Carbon NanotubesM. C. Shanmukha0A. Usha1M. K. Siddiqui2K. C. Shilpa3A. Asare-Tuah4Department of Mathematics, Jain Institute of Technology, Davanagere-577003, Karnataka, IndiaDepartment of Mathematics, Alliance School of Applied Mathematics, Alliance University, Bangalore-562106, Karnataka, IndiaDepartment of Mathematics, Comsats University Islamabad, Lahore Campus, Lahore, PakistanDepartment of Computer Science and Engineering, Bapuji Institute of Engineering and Technology, Davanagere-577004, Karnataka, IndiaDepartment of Mathematics, University of Ghana, Legon, GhanaThe 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 |
| 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 |
| title | 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_short | Novel Degree-Based Topological Descriptors of Carbon Nanotubes |
| title_sort | novel degree based topological descriptors of carbon nanotubes |
| url | http://dx.doi.org/10.1155/2021/3734185 |
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