Computation of Vertex-Based Topological Descriptors of Organometallic Monolayers of TM 3 C 12 S 12 | Zendy

Dalal Alrowaili | Zendy; Faraha Ashraf | Zendy; Rifaqat Ali | Zendy; Arsalan Shoukat | Zendy; Aqila Shaheen | Zendy; Mehran Azeem | Zendy; Imran Siddique | Zendy

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Computation of Vertex-Based Topological Descriptors of Organometallic Monolayers of TM 3 C 12 S 12

Author(s) -

Dalal Alrowaili,

Faraha Ashraf,

Rifaqat Ali,

Arsalan Shoukat,

Aqila Shaheen,

Mehran Azeem,

Imran Siddique

Publication year - 2021

Publication title -

journal of mathematics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.252

H-Index - 13

eISSN - 2314-4785

pISSN - 2314-4629

DOI - 10.1155/2021/8572049

Subject(s) - quantitative structure–activity relationship , mathematics , vertex (graph theory) , computation , topology (electrical circuits) , molecular descriptor , topological index , computational chemistry , chemistry , algorithm , combinatorics , stereochemistry , graph

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.

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