Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids
The Sombor index, introduced by Gutman in 2021, represents a novel graphical topological descriptor reliant upon graph degree information. It holds promise for elucidating the thermodynamic behavior of compounds. Denoting by Vnk (respectively, Enk) the set encompassing all connected graphs comprisin...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-01-01
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| Series: | Heliyon |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844023106001 |
| _version_ | 1827367209527148544 |
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| author | Sakander Hayat Muhammad Arshad Asad Khan |
| author_facet | Sakander Hayat Muhammad Arshad Asad Khan |
| author_sort | Sakander Hayat |
| collection | DOAJ |
| description | The Sombor index, introduced by Gutman in 2021, represents a novel graphical topological descriptor reliant upon graph degree information. It holds promise for elucidating the thermodynamic behavior of compounds. Denoting by Vnk (respectively, Enk) the set encompassing all connected graphs comprising n vertices with a specific vertex-connectivity (correspondingly, edge-connectivity) value of k. In Problem 1 (resp. Problem 2) of Hayat et al. (2022) [33], the question of finding minimum Sombor index of graphs in Vnk (resp. Enk) is proposed. In this note, we solve both of the open problems by characterizing minimizing graphs in Enk and Vnk corresponding to the Sombor index. We employed commonly occurring valency-based graphical indices in a QSPR studies of the physicochemical characteristics for monocarboxylic acids. The proposed statistical models infer that the Sombor index predicts various physicochemical characteristics for monocarboxylic acids having strong predictive coefficients such as ρ=0.99998. |
| first_indexed | 2024-03-08T09:03:12Z |
| format | Article |
| id | doaj.art-28441e5520ca42dfa8398572039b4084 |
| institution | Directory Open Access Journal |
| issn | 2405-8440 |
| language | English |
| last_indexed | 2024-03-08T09:03:12Z |
| publishDate | 2024-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj.art-28441e5520ca42dfa8398572039b40842024-02-01T06:31:42ZengElsevierHeliyon2405-84402024-01-01101e23392Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acidsSakander Hayat0Muhammad Arshad1Asad Khan2Mathematical Sciences, Faculty of Science, Universiti Brunei Darussalam, Jln Tungku Link, Gadong BE1410, Brunei Darussalam; Corresponding authors.Faculty of Engineering Sciences, Ghulam Ishaq Khan Institute of Engineering Sciences and Technology, Topi, Swabi, 23460, PakistanMetaverse Research Institute, School of Computer Science and Cyber Engineering, Guangzhou University, Guangzhou, Guangdong, 510006, PR China; Corresponding authors.The Sombor index, introduced by Gutman in 2021, represents a novel graphical topological descriptor reliant upon graph degree information. It holds promise for elucidating the thermodynamic behavior of compounds. Denoting by Vnk (respectively, Enk) the set encompassing all connected graphs comprising n vertices with a specific vertex-connectivity (correspondingly, edge-connectivity) value of k. In Problem 1 (resp. Problem 2) of Hayat et al. (2022) [33], the question of finding minimum Sombor index of graphs in Vnk (resp. Enk) is proposed. In this note, we solve both of the open problems by characterizing minimizing graphs in Enk and Vnk corresponding to the Sombor index. We employed commonly occurring valency-based graphical indices in a QSPR studies of the physicochemical characteristics for monocarboxylic acids. The proposed statistical models infer that the Sombor index predicts various physicochemical characteristics for monocarboxylic acids having strong predictive coefficients such as ρ=0.99998.http://www.sciencedirect.com/science/article/pii/S2405844023106001GraphsExtremal valuesSombor indexEdge-connectivityVertex-connectivityQSPR model |
| spellingShingle | Sakander Hayat Muhammad Arshad Asad Khan Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids Heliyon Graphs Extremal values Sombor index Edge-connectivity Vertex-connectivity QSPR model |
| title | Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids |
| title_full | Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids |
| title_fullStr | Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids |
| title_full_unstemmed | Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids |
| title_short | Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids |
| title_sort | graphs with given connectivity and their minimum sombor index having applications to qspr studies of monocarboxylic acids |
| topic | Graphs Extremal values Sombor index Edge-connectivity Vertex-connectivity QSPR model |
| url | http://www.sciencedirect.com/science/article/pii/S2405844023106001 |
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