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通过曲线拟合模型对苄基氨磺酰网络的拓扑指数和生成热进行分析。

On analysis of topological indices and heat of formation for benzyl sulfamoyl network via curve fitting model.

作者信息

Yang Hong, Hanif Muhammad Farhan, Siddiqui Muhammad Kamran, Hanif Muhammad Faisal, Maqbool Ayesha, Fiidow Mohamed Abubakar

机构信息

School of Computer Science, Chengdu University, Chengdu, China.

Department of Mathematics and Statistics, The University of Lahore, Lahore Campus, Lahore, Pakistan.

出版信息

Sci Rep. 2024 Jul 5;14(1):15526. doi: 10.1038/s41598-024-66579-9.

DOI:10.1038/s41598-024-66579-9
PMID:38969712
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11226722/
Abstract

The study explores the intricate relationship between topological indices and the heat of formation in the benzyl sulfamoyl network. Topological indices of benzyl sulfamoyl networks are studied and also emphasize their properties statistically. The benzyl sulfamoyl has unique properties due to its crystalline structure and it is used in the form of artificial substance. We analyze the distributions and correlations of the benzyl sulfamoyl network with others by using statistical methods and also build a computational analysis for topological indices. The findings show a strong association between the variables, indicating that topological indices may be used to accurately predict thermodynamic characteristics and improve the effectiveness of molecular modelling and simulation procedures.

摘要

该研究探讨了苄基氨磺酰网络中拓扑指数与生成热之间的复杂关系。对苄基氨磺酰网络的拓扑指数进行了研究，并从统计学角度强调了它们的性质。苄基氨磺酰因其晶体结构而具有独特性质，它以人工合成物质的形式被使用。我们运用统计方法分析了苄基氨磺酰网络与其他网络的分布及相关性，还构建了拓扑指数的计算分析。研究结果表明这些变量之间存在很强的关联，这表明拓扑指数可用于准确预测热力学特性，并提高分子建模和模拟程序的有效性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/a4bf5840c56f/41598_2024_66579_Fig12_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/a4bf5840c56f/41598_2024_66579_Fig12_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/f241d0b1414e/41598_2024_66579_Fig1_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/57fbec4d5772/41598_2024_66579_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/f134611aeee6/41598_2024_66579_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/7bc5e5154c41/41598_2024_66579_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/39089a7d12a1/41598_2024_66579_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/048d8a1ed647/41598_2024_66579_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/a2e50323237c/41598_2024_66579_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/158063d8b516/41598_2024_66579_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/f947aef158b4/41598_2024_66579_Fig11_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/146e/11226722/a4bf5840c56f/41598_2024_66579_Fig12_HTML.jpg

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