论菱形硅酸盐和氧化物结构拓扑指标的比较分析

IF 1.3 4区 数学 Q1 MATHEMATICS Journal of Mathematics Pub Date : 2024-05-24 DOI:10.1155/2024/2773913
Aqsa Sattar, Muhammad Javaid, Mamo Abebe Ashebo
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引用次数: 0

摘要

拓扑指数(TI)是表示分子网络整体化学结构的数字。在定量结构-活性关系(QSAR)和定量结构-性质关系(QSPR)研究中,拓扑指数有助于预测分子物质的生物活性。距离描述符与化学物质的各种化学和物理属性相关联,如熔点和凝固点、应变能、稳定性、温度、体积、密度和压力。文献中有多种基于距离的描述符,但在测量分子化合物的化学特性方面,基于连接的 TI 被认为比基于度的 TI 更有效。本研究主要针对最重要的化学结构类型,即菱形硅酸盐和菱形氧化物网络,计算基于连接的 TI。最后,我们根据计算结果对这些结构进行了比较。
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On the Comparative Analysis among Topological Indices for Rhombus Silicate and Oxide Structures
A topological index (TI) is a numeric digit that signalizes the whole chemical structure of a molecular network. TIs are helpful in predicting the bioactivity of molecular substances in investigations of quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR). TIs correlate various chemical and physical attributes of chemical substances such as melting and freezing point, strain energy, stability, temperature, volume, density, and pressure. There are several distance-based descriptors available in the literature, but connection-based TIs are considered more effective than degree-based TIs in measuring the chemical characteristics of molecular compounds. The present study focuses on computing the connection-based TIs for the most significant type of chemical structures, namely, rhombus silicate and rhombus oxide networks. At the end, we compare these structures on the basis of their computed result.
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来源期刊
Journal of Mathematics
Journal of Mathematics Mathematics-General Mathematics
CiteScore
2.50
自引率
14.30%
发文量
0
期刊介绍: Journal of Mathematics is a broad scope journal that publishes original research articles as well as review articles on all aspects of both pure and applied mathematics. As well as original research, Journal of Mathematics also publishes focused review articles that assess the state of the art, and identify upcoming challenges and promising solutions for the community.
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