Degree-Based Topological Indices and QSPR Analysis of Antituberculosis Drugs | Zendy

Mr. Adnan | Zendy; Syed Ahtsham Ul Haq Bokhary | Zendy; Ghulam Abbas | Zendy; Tanveer Iqbal | Zendy

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Degree-Based Topological Indices and QSPR Analysis of Antituberculosis Drugs

Author(s) -

Mr. Adnan,

Syed Ahtsham Ul Haq Bokhary,

Ghulam Abbas,

Tanveer Iqbal

Publication year - 2022

Publication title -

journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.436

H-Index - 50

eISSN - 2090-9063

pISSN - 2090-9071

DOI - 10.1155/2022/5748626

Subject(s) - quantitative structure–activity relationship , topological index , chemistry , topology (electrical circuits) , graph , molecular graph , degree (music) , molecular descriptor , computational chemistry , mathematics , stereochemistry , discrete mathematics , combinatorics , physics , acoustics

A topological index of graph G is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds, then it reflects the theoretical properties of the chemical compounds. In this paper, well-known degree-based topological indices are applied on chemical structures of antituberculosis drugs. Chemical structure is considered as graph, where elements are taken as vertices and bounds between them are taken as edges. Furthermore, QSPR analysis of the said topological indices are discussed, and it is shown that these topological indices are highly correlated with the physical properties of antituberculosis drugs. This theocratical analysis may help the chemist and people working in pharmaceutical industry to predict properties of antituberculosis drugs without experimenting.

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