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

Abdul Rauf Khan; Nadeem Ul Hassan Awan; Fairouz Tchier; Saeed D Alahmari; Ashjan F Khalel; Shahid Hussain

doi:10.1080/07391102.2023.2292792

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

J Biomol Struct Dyn. 2023 Dec 14:1-9. doi: 10.1080/07391102.2023.2292792. Online ahead of print.

Authors

Abdul Rauf Khan¹, Nadeem Ul Hassan Awan¹, Fairouz Tchier², Saeed D Alahmari³, Ashjan F Khalel⁴, Shahid Hussain⁵

Affiliations

¹ Department of Mathematics, Faculty of Sciences, Ghazi University D. G. Khan, Pakistan.
² Mathematics Department, College of Science, King Saud University, Riyadh, Saudi Arabia.
³ Department of Chemistry, Faculty of Science, Jazan University, Jazan, Saudi Arabia.
⁴ Biology Department, University Collage in Aldarb, Jazan University, Jazan, Saudi Arabia.
⁵ Energy Engineering Division, Department of Engineering Science and Mathematics, Lulea University of Technology, Lulea, Sweden.

PMID: 38095491
DOI: 10.1080/07391102.2023.2292792

Abstract

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.

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