Degree-Based Topological Indices and QSPR Analysis of Antituberculosis Drugs

被引：40
|
作者：
Adnan, Mr. [1 ,2 ]
Bokhary, Syed Ahtsham Ul Haq [1 ]
Abbas, Ghulam [1 ]
Iqbal, Tanveer [1 ,3 ]
机构：
[1] Bahauddin Zakariya Univ, Ctr Adv Studies Pure & Appl Math, Multan, Pakistan
[2] Allama Iqbal Open Univ, Islamabad, Pakistan
[3] Emersen Univ, Multan, Pakistan
来源：
JOURNAL OF CHEMISTRY | 2022年 / 2022卷
关键词：
D O I：
10.1155/2022/5748626
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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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页数：17
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