Computation of Vertex-Based Topological Descriptors of Organometallic Monolayers of ${\text{TM}}_3{\text{C}}_{12}{\text{S}}_{12}$

Autor:	Aqila Shaheen, Dalal Alrowaili, Imran Siddique, Mehran Azeem, Faraha Ashraf, Rifaqat Ali, Arsalan Shoukat
Rok vydání:	2021
Předmět:	Vertex (graph theory) Quantitative structure–activity relationship General Mathematics Biological structure Computation Monolayer Structure (category theory) Field (mathematics) Topology Mathematics
Zdroj:	Journal of Mathematics. 2021:1-7
ISSN:	2314-4785 2314-4629
Popis:	Topological descriptors are mathematical values related to chemical structures which are associated with different physicochemical properties. The use of topological descriptors has a great contribution in the field of quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) modeling. These are mathematical relationships between different molecular properties or biological activity and some other physicochemical or structural properties. In this article, we calculate few vertex degree-based topological indices/descriptors of the organometallic monolayer structure. At present, the numerical programming of the biological structure with topological descriptors is increasing in consequence in invigorating science, bioinformatics, and pharmaceutics.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::dd21fc07a1baecd5bc1dccd0aa88f105 https://doi.org/10.1155/2021/8572049 Zobrazit plný text záznamu Plný text