Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks
Irregularity measures tend to describe the complexity of networks. Chemical graph theory is a branch of mathematical chemistry that has a significant impact on the development of the chemical sciences. The study of irregularity indices has recently become one of the most active research areas in che...
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Frontiers Media S.A.
2025-01-01
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| Series: | Frontiers in Chemistry |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2024.1485184/full |
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| author | Xiujun Zhang Hafiz Mutee ur Rehman M. Mobeen Munir |
| author_facet | Xiujun Zhang Hafiz Mutee ur Rehman M. Mobeen Munir |
| author_sort | Xiujun Zhang |
| collection | DOAJ |
| description | Irregularity measures tend to describe the complexity of networks. Chemical graph theory is a branch of mathematical chemistry that has a significant impact on the development of the chemical sciences. The study of irregularity indices has recently become one of the most active research areas in chemical graph theory. Irregularity indices help us to examine many chemical and biological properties of chemical structures under study. In this article, we study the irregularity indices of the octahedral and icosahedral networks. These networks are used in crystallography, where the topology and structural aspects are carrying some important facts to determine the properties of large structures theoretically. Our results play an important role in pharmacy, drug design, and many other applied areas. We also compared our results graphically to conclude the irregularity with a change in the parameter of structures. |
| format | Article |
| id | doaj-art-05b6c836c81b4162a2750e53ad7a9289 |
| institution | Kabale University |
| issn | 2296-2646 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemistry |
| spelling | doaj-art-05b6c836c81b4162a2750e53ad7a92892025-01-17T06:51:07ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462025-01-011210.3389/fchem.2024.14851841485184Computational measures of irregularity molecular descriptors of octahedral and icosahedral networksXiujun Zhang0Hafiz Mutee ur Rehman1M. Mobeen Munir2School of Computer Science, Chengdu University, Chengdu, ChinaDepartment of Mathematics, Division of Science and Technology, University of Education Lahore, Lahore, PakistanDepartment of Mathematics, University of the Punjab, Lahore, PakistanIrregularity measures tend to describe the complexity of networks. Chemical graph theory is a branch of mathematical chemistry that has a significant impact on the development of the chemical sciences. The study of irregularity indices has recently become one of the most active research areas in chemical graph theory. Irregularity indices help us to examine many chemical and biological properties of chemical structures under study. In this article, we study the irregularity indices of the octahedral and icosahedral networks. These networks are used in crystallography, where the topology and structural aspects are carrying some important facts to determine the properties of large structures theoretically. Our results play an important role in pharmacy, drug design, and many other applied areas. We also compared our results graphically to conclude the irregularity with a change in the parameter of structures.https://www.frontiersin.org/articles/10.3389/fchem.2024.1485184/fullirregularity indicesoctahedral networkicosahedral networkcomputational comparisonscomplexity |
| spellingShingle | Xiujun Zhang Hafiz Mutee ur Rehman M. Mobeen Munir Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks Frontiers in Chemistry irregularity indices octahedral network icosahedral network computational comparisons complexity |
| title | Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks |
| title_full | Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks |
| title_fullStr | Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks |
| title_full_unstemmed | Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks |
| title_short | Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks |
| title_sort | computational measures of irregularity molecular descriptors of octahedral and icosahedral networks |
| topic | irregularity indices octahedral network icosahedral network computational comparisons complexity |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2024.1485184/full |
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