An estimation of physiochemical properties of bladder cancer drugs via degree-based chemical bonding topological descriptors

被引：10

作者：

Khan, Abdul Rauf ^{[1
]}

Awan, Nadeem Ul Hassan ^{[1
]}

Tchier, Fairouz ^{[2
]}

Alahmari, Saeed D. ^{[3
]}

Khalel, Ashjan F. ^{[4
]}

Hussain, Shahid ^{[5
]}

机构：

[1] Ghazi Univ, Fac Sci, Dept Math, DG Khan, Pakistan

[2] King Saud Univ, Coll Sci, Math Dept, Riyadh, Saudi Arabia

[3] Jazan Univ, Fac Sci, Dept Chem, Jazan, Saudi Arabia

[4] Jazan Univ, Univ Collage Aldarb, Biol Dept, Jazan, Saudi Arabia

[5] Lulea Univ Technol, Dept Engn Sci & Math, Energy Engn Div, Lulea, Sweden

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 2025年 / 43卷 / 04期

关键词：

Chemical bonding; physiochemical properties; bladder; cancer drugs; correlation coefficients; QSPR analysis; regression analysis; topological descriptors;

D O I：

10.1080/07391102.2023.2292792

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The use of topological descriptors remains a significant approach due to numerous advances in the field of drug design. Descriptors provide numerical representations of a molecule's chemical characteristics when used with QSPR models. The QSPR analysis for bladder medications is the main focus of this study. Linear regression model is developed for the computed indices values, the physicochemical properties of the bladder medications are examined.Communicated by Ramaswamy H. Sarma

引用

页码：1665 / 1673

页数：9

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