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...

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Autores principales:	Javaid Muhammad, Imran Muhammad
Formato:	article
Lenguaje:	EN
Publicado:	De Gruyter 2021
Materias:	chemical structures topological indices graph-theoretic techniques Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/33bed5f4e61b4b808a6ff3d6d7bb503f
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id	oai:doaj.org-article:33bed5f4e61b4b808a6ff3d6d7bb503f
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spelling	oai:doaj.org-article:33bed5f4e61b4b808a6ff3d6d7bb503f2021-12-05T14:10:56ZEditorial: Topological investigations of chemical networks0792-12412191-021910.1515/mgmc-2021-0030https://doaj.org/article/33bed5f4e61b4b808a6ff3d6d7bb503f2021-11-01T00:00:00Zhttps://doi.org/10.1515/mgmc-2021-0030https://doaj.org/toc/0792-1241https://doaj.org/toc/2191-0219The 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.Javaid MuhammadImran MuhammadDe Gruyterarticlechemical structurestopological indicesgraph-theoretic techniquesChemistryQD1-999ENMain Group Metal Chemistry, Vol 44, Iss 1, Pp 267-269 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	chemical structures topological indices graph-theoretic techniques Chemistry QD1-999
spellingShingle	chemical structures topological indices graph-theoretic techniques Chemistry QD1-999 Javaid Muhammad Imran Muhammad Editorial: Topological investigations of chemical networks
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.
format	article
author	Javaid Muhammad Imran Muhammad
author_facet	Javaid Muhammad Imran Muhammad
author_sort	Javaid Muhammad
title	Editorial: Topological investigations of chemical networks
title_short	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_sort	editorial: topological investigations of chemical networks
publisher	De Gruyter
publishDate	2021
url	https://doaj.org/article/33bed5f4e61b4b808a6ff3d6d7bb503f
work_keys_str_mv	AT javaidmuhammad editorialtopologicalinvestigationsofchemicalnetworks AT imranmuhammad editorialtopologicalinvestigationsofchemicalnetworks
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Editorial: Topological investigations of chemical networks

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