基于顶点度的拓扑指数的化学适用性和曲线回归模型椭圆松博指数

IF 2.3 3区 化学 Q3 CHEMISTRY, PHYSICAL International Journal of Quantum Chemistry Pub Date : 2024-04-27 DOI:10.1002/qua.27376
M. C. Shanmukha, A. Usha, V. R. Kulli, K. C. Shilpa
{"title":"基于顶点度的拓扑指数的化学适用性和曲线回归模型椭圆松博指数","authors":"M. C. Shanmukha,&nbsp;A. Usha,&nbsp;V. R. Kulli,&nbsp;K. C. Shilpa","doi":"10.1002/qua.27376","DOIUrl":null,"url":null,"abstract":"<p>Chemical graph theory facilitates different tools that have significant applications in drug design and development. Recently Gutman et al., introduced a novel vertex-degree-based topological index called elliptic Sombor index and its application through geometric approach. This article focuses on chemical applicability of elliptic Sombor index through regression models using 22 benzenoid hydrocarbons. In this process, the chemical applicability of elliptic Sombor index with various physicochemical properties of benzenoid hydrocarbons through curvilinear regression models is carried out. The data of the statistical analysis shows that elliptic Sombor index is potential predictive index for the property polarizability.</p>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2024-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Chemical applicability and curvilinear regression models of vertex-degree-based topological index: Elliptic Sombor index\",\"authors\":\"M. C. Shanmukha,&nbsp;A. Usha,&nbsp;V. R. Kulli,&nbsp;K. C. Shilpa\",\"doi\":\"10.1002/qua.27376\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Chemical graph theory facilitates different tools that have significant applications in drug design and development. Recently Gutman et al., introduced a novel vertex-degree-based topological index called elliptic Sombor index and its application through geometric approach. This article focuses on chemical applicability of elliptic Sombor index through regression models using 22 benzenoid hydrocarbons. In this process, the chemical applicability of elliptic Sombor index with various physicochemical properties of benzenoid hydrocarbons through curvilinear regression models is carried out. The data of the statistical analysis shows that elliptic Sombor index is potential predictive index for the property polarizability.</p>\",\"PeriodicalId\":182,\"journal\":{\"name\":\"International Journal of Quantum Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-04-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Quantum Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/qua.27376\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Quantum Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/qua.27376","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

化学图论提供了不同的工具,这些工具在药物设计和开发中有着重要的应用。最近,Gutman 等人提出了一种新颖的基于顶点度的拓扑指数--椭圆 Sombor 指数,并通过几何方法对其进行了应用。本文主要通过使用 22 种苯类碳氢化合物的回归模型来研究椭圆 Sombor 指数的化学适用性。在此过程中,通过曲线回归模型对椭圆松博指数与苯类烃的各种理化性质的化学适用性进行了研究。统计分析数据表明,椭圆松博指数是一种潜在的属性极化性预测指数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Chemical applicability and curvilinear regression models of vertex-degree-based topological index: Elliptic Sombor index

Chemical graph theory facilitates different tools that have significant applications in drug design and development. Recently Gutman et al., introduced a novel vertex-degree-based topological index called elliptic Sombor index and its application through geometric approach. This article focuses on chemical applicability of elliptic Sombor index through regression models using 22 benzenoid hydrocarbons. In this process, the chemical applicability of elliptic Sombor index with various physicochemical properties of benzenoid hydrocarbons through curvilinear regression models is carried out. The data of the statistical analysis shows that elliptic Sombor index is potential predictive index for the property polarizability.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
International Journal of Quantum Chemistry
International Journal of Quantum Chemistry 化学-数学跨学科应用
CiteScore
4.70
自引率
4.50%
发文量
185
审稿时长
2 months
期刊介绍: Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.
期刊最新文献
Issue Information Elucidating the Hydrolysis and Polymerization Reactions of Al3+-Solvated Molecules by Reactive Molecular Dynamics Simulation Spectrum-Based Topological Indices and Their QSPR Studies of Nonsteroidal Anti-Inflammatory Drugs Mechanism of Iron-Catalyzed C—H Alkenylation of Pivalophenone Derivatives With Unsymmetric Internal Alkynes Issue Information
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1