计算苯碳氢化合物理化性质的一般总和/产物连通性拓扑指标预测潜力的优化问题

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-05-22 DOI:10.3390/axioms13060342

Sakander Hayat, Azri Arfan, Asad Khan, Haziq Jamil, Mohammed J. F. Alenazi

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引用次数: 0

摘要

对于图 G=(VG,EG)，基于阶数的图形索引 GId 的一般形式为 GId=∑xy∈EGϕ(dx,dy)，其中ϕ是对称映射，di 是 i∈VG 的阶数。对于 α∈R，如果 ϕ=(dxdy)α （即 ϕ=(dx+dy)α），则该指数称为一般积连接性 Rα（即一般和连接性 SCIα）指数。本文通过提出一个优化问题，确定 Rα 和 SCIα 与苯类烃理化性质的线性/多重相关系数最强的 α 值。这反过来又填补了该领域类似研究的一些空白。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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An Optimization Problem for Computing Predictive Potential of General Sum/Product-Connectivity Topological Indices of Physicochemical Properties of Benzenoid Hydrocarbons

For a graph G=(VG,EG), a degree-based graphical index GId takes the general form GId=∑xy∈EGϕ(dx,dy), where ϕ is a symmetric map and di is the degree of i∈VG. For α∈R, if ϕ=(dxdy)α (resp. ϕ=(dx+dy)α), the index is called the general product-connectivity Rα (resp. general sum-connectivity SCIα) index. In this paper, by formulating an optimization problem, we determine the value(s) of α, for which the linear/multiple correlation coefficient of Rα and SCIα with physicochemical properties of benzenoid hydrocarbons is the strongest. This, in turn, fills some research gaps left by similar studies in this area.

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.