Editorial: Topological investigations of chemical networks
The topic of computing the topological indices (TIs) being a graph-theoretic modeling of the networks or discrete structures has become an important area of research nowadays because of its immense applications in various branches of the applied sciences. TIs have played a vital role in mathematical...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2021-11-01
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| Series: | Main Group Metal Chemistry |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/mgmc-2021-0030 |
| _version_ | 1818999613980409856 |
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| author | Javaid Muhammad Imran Muhammad |
| author_facet | Javaid Muhammad Imran Muhammad |
| author_sort | Javaid Muhammad |
| collection | DOAJ |
| description | The topic of computing the topological indices (TIs) being a graph-theoretic modeling of the networks or discrete structures has become an important area of research nowadays because of its immense applications in various branches of the applied sciences. TIs have played a vital role in mathematical chemistry since the pioneering work of famous chemist Harry Wiener in 1947. However, in recent years, their capability and popularity has increased significantly because of the findings of the different physical and chemical investigations in the various chemical networks and the structures arising from the drug designs. In additions, TIs are also frequently used to study the quantitative structure property relationships (QSPRs) and quantitative structure activity relationships (QSARs) models which correlate the chemical structures with their physio-chemical properties and biological activities in a dataset of chemicals. These models are very important and useful for the research community working in the wider area of cheminformatics which is an interdisciplinary field combining mathematics, chemistry, and information science. The aim of this editorial is to arrange new methods, techniques, models, and algorithms to study the various theoretical and computational aspects of the different types of these topological indices for the various molecular structures. |
| first_indexed | 2024-12-20T22:20:13Z |
| format | Article |
| id | doaj.art-33bed5f4e61b4b808a6ff3d6d7bb503f |
| institution | Directory Open Access Journal |
| issn | 0792-1241 2191-0219 |
| language | English |
| last_indexed | 2024-12-20T22:20:13Z |
| publishDate | 2021-11-01 |
| publisher | De Gruyter |
| record_format | Article |
| series | Main Group Metal Chemistry |
| spelling | doaj.art-33bed5f4e61b4b808a6ff3d6d7bb503f2022-12-21T19:24:57ZengDe GruyterMain Group Metal Chemistry0792-12412191-02192021-11-0144126726910.1515/mgmc-2021-0030Editorial: Topological investigations of chemical networksJavaid Muhammad0Imran Muhammad1Department of Mathematics, School of Science, University of Management and Technology, Lahore, PakistanDepartment of Mathematical Sciences, United Arab Emirates University, P. O. Box 15551, Al Ain, United Arab EmiratesThe topic of computing the topological indices (TIs) being a graph-theoretic modeling of the networks or discrete structures has become an important area of research nowadays because of its immense applications in various branches of the applied sciences. TIs have played a vital role in mathematical chemistry since the pioneering work of famous chemist Harry Wiener in 1947. However, in recent years, their capability and popularity has increased significantly because of the findings of the different physical and chemical investigations in the various chemical networks and the structures arising from the drug designs. In additions, TIs are also frequently used to study the quantitative structure property relationships (QSPRs) and quantitative structure activity relationships (QSARs) models which correlate the chemical structures with their physio-chemical properties and biological activities in a dataset of chemicals. These models are very important and useful for the research community working in the wider area of cheminformatics which is an interdisciplinary field combining mathematics, chemistry, and information science. The aim of this editorial is to arrange new methods, techniques, models, and algorithms to study the various theoretical and computational aspects of the different types of these topological indices for the various molecular structures.https://doi.org/10.1515/mgmc-2021-0030chemical structurestopological indicesgraph-theoretic techniques |
| spellingShingle | Javaid Muhammad Imran Muhammad Editorial: Topological investigations of chemical networks Main Group Metal Chemistry chemical structures topological indices graph-theoretic techniques |
| title | Editorial: Topological investigations of chemical networks |
| title_full | Editorial: Topological investigations of chemical networks |
| title_fullStr | Editorial: Topological investigations of chemical networks |
| title_full_unstemmed | Editorial: Topological investigations of chemical networks |
| title_short | Editorial: Topological investigations of chemical networks |
| title_sort | editorial topological investigations of chemical networks |
| topic | chemical structures topological indices graph-theoretic techniques |
| url | https://doi.org/10.1515/mgmc-2021-0030 |
| work_keys_str_mv | AT javaidmuhammad editorialtopologicalinvestigationsofchemicalnetworks AT imranmuhammad editorialtopologicalinvestigationsofchemicalnetworks |