On topological indices of some chemical graphs

被引：4

作者：

Aqib, Muhammad ^{[1
]}

Ali Malik, Mehar ^{[2
]}

Usman Afzal, Hafiz ^{[3
]}

Fatima, Tahzeeb ^{[4
]}

Ali, Yasir ^{[2
]}

机构：

[1] Riphah Int Univ, Dept Math, Lahore, Pakistan

[2] Natl Univ Sci & Technol, Coll Elect & Mech Engn, Islamabad, Pakistan

[3] Univ Management & Technol, Dept Math, Lahore, Pakistan

[4] Univ Gothenburg, Sahlgrenska Acad, Dept Rheumatol & Inflammat Res, Gothenburg, Sweden

来源：

MOLECULAR PHYSICS | 2023年

关键词：

Forgotten index; inverse sum index; trimethylpentane; TiO2; nanotubes;

D O I：

10.1080/00268976.2023.2276386

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This research delves into the application of topological indices in predicting the physico-chemical properties of chemical materials. These indices have been employed in various QSAR and QSPR studies, providing a mathematical formulation to predict properties such as viscosity and radius of gyrations Rucker and Rucker [J. Chem. Inf. Comput. Sci. 39, 788-802, (1999)]. We explore several indices, including the forgotten topological index, inverse sum index, general sum connectivity index and first multiplicative atom bond connectivity index, and investigate their usefulness in predicting bio-activity and anti-inflammatory activities of certain chemical compounds. Specifically, we focus on the 2D allotrope structure, TiO2 nanotubes and dominating oxide and silicate chemical networks. We present a 3D graphical trend of these indices and perform a comparison to facilitate the observation of physical-chemical properties of these materials for researchers.

引用

页数：13

共 24 条

[1] On Topological Indices of OT [m, n] Octagonal Tillings and TiO2 Nanotubes [J].