Liu Jia-Bao, Ali Haidar, Ali Didar Abdulkhaleq, Umer Ayesha, Ali Parvez, Kirmani Syed Ajaz K
School of Mathematics and Physics, Anhui Jianzhu University, Hefei, 230601, China.
Department of Mathematics, Riphah International University, Faisalabad Campus, Pakistan.
Comb Chem High Throughput Screen. 2024;27(5):666-673. doi: 10.2174/1386207326666230831125646.
Dominating David-derived networks are widely studied due to their fractal nature, with applications in topology, chemistry, and computer sciences. The use of molecular structure descriptors is a standard procedure that is used to correlate the biological activity of molecules with their chemical structures, which can be useful in the field of pharmacology.
This article's goal is to develop analytically closed computing formulas for eccentricitybased descriptors of the second type of dominating David-derived network. Thermodynamic characteristics, physicochemical properties, and chemical and biological activities of chemical graphs are just a few of the many properties that may be determined using these computation formulas.
Vertex sets were initially divided according to their degrees, eccentricities, and cardinalities of occurrence. The eccentricity-based indices are then computed using some combinatorics and these partitions.
Total eccentricity, average eccentricity, and the Zagreb index are distance-based topological indices utilized in this study for the second type of dominating David-derived network, denoted as D2(m).
These calculations will assist the readers in estimating the fractal and difficult-tohandle thermodynamic and physicochemical aspects of chemical structure. Apart from configuration and impact resistance, the D2(m) design has been used for fundamental reasons in a variety of technical and scientific advancements.
由于其分形性质，主导大卫衍生网络得到了广泛研究，在拓扑学、化学和计算机科学等领域有应用。使用分子结构描述符是一种标准程序，用于将分子的生物活性与其化学结构相关联，这在药理学领域可能有用。
本文的目标是为第二类主导大卫衍生网络基于偏心率的描述符开发解析封闭的计算公式。化学图的热力学特性、物理化学性质以及化学和生物活性只是可以使用这些计算公式确定的众多性质中的一部分。
顶点集最初根据其度数、偏心率和出现的基数进行划分。然后使用一些组合数学和这些划分来计算基于偏心率的指标。
总偏心率、平均偏心率和 Zagreb 指数是本研究中用于第二类主导大卫衍生网络（记为 D2(m)）的基于距离的拓扑指标。
这些计算将帮助读者估计化学结构的分形且难以处理的热力学和物理化学方面。除了构型和抗冲击性外，D2(m) 设计已在各种技术和科学进步中出于基本原因被使用。
