Computation of bond incident degree (BID) indices of complex structures in drugs

被引:12
作者
Liu, Jia-Bao [1 ]
Baig, Abdul Qudair [2 ]
Imran, Muhammad [3 ]
Khalid, Waqas [2 ]
Saeed, Muhammad [4 ]
Farahani, Mohammad Reza [5 ]
机构
[1] Anhui Jianzhu Univ, Sch Math & Phys, Hefei 230601, Anhui, Peoples R China
[2] COMSATS Inst Informat Technol, Dept Math, Attock, Pakistan
[3] United Arab Emirates Univ, Dept Math Sci, POB 15551, Al Ain, U Arab Emirates
[4] Riphah Int Univ, Dept Basic Sci, Islamabad, Pakistan
[5] Iran Univ Sci & Technol IUST Narmak, Dept Appl Math, Tehran 16844, Iran
来源
EURASIAN CHEMICAL COMMUNICATIONS | 2020年 / 2卷 / 06期
关键词
Molecular structure descriptor; bond incident degree index; nanostar dendrimers; drug; TOPOLOGICAL INDEXES; WIENER INDEX; PI INDEX;
D O I
10.33945/SAMI/ECC.2020.6.4
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The molecular topological descriptors are the numerical invariants of a molecular graph and are very useful and efficient to predict their bioactivity. Dendrimers are highly branched organic macro-molecules with successive layers or generations of branch units surrounding a central core and have many applications in biology, medicine and drug designs. These are key molecules in nanotechnology and can be put to good use. A great variety of such indices are studied and used in theoretical chemistry and pharmaceutical researchers. Among them, a large number of indices depend only on vertex degrees of the molecular graph. A considerable amount of these vertex-degree-based topological indices can be represented as the sum of edge contributions of graph. These kind of vertex-degree-based topological indices are known as bond incident degree (BID) indices. In this paper, we determine the bond incident degree indices of complex structures in drugs called nanostar dendrimers and compute the closed formula for these indices.
引用
收藏
页码:672 / 679
页数:8
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