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QSPR Analysis of Diverse Drugs Using Linear Regression for Predicting Physical Properties.

Authors :
Wei, Jiao
Hanif, Muhammad Farhan
Mahmood, Hasan
Siddiqui, Muhammad Kamran
Hussain, Mazhar
Source :
Polycyclic Aromatic Compounds. 2024, Vol. 44 Issue 7, p4850-4870. 21p.
Publication Year :
2024

Abstract

The study focused on QSPR (Quantitative Structure-Property Relationship) analysis using a variety of topological indices on the medications Mefloquinone, Sertraline, Niclosamide, Tizoxanide, PHA-690509, Ribavirin, Emricasan, and Sofosbuvir. Through the use of computational modeling approaches, the study sought to determine how these medications' chemical structures relate to their individual qualities. The discovered results provided information on the quantitative correlations between structural characteristics and pharmacological qualities, allowing for better comprehension and forecast of their behavior. The results of this study make a positive contribution to the field of medication discovery and design by offering important knowledge about the structure-property correlations of these medicinal molecules. In this article, we focus on using topological indices and a linear regression model to successfully predict various pharmacological features. This method enables more effective drug discovery and development by providing insights into the connection between molecular structure and pharmacological characteristics. We can improve our comprehension of drug behavior and assist targeted drug design by utilizing topological indices and regression analysis. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
10406638
Volume :
44
Issue :
7
Database :
Academic Search Index
Journal :
Polycyclic Aromatic Compounds
Publication Type :
Academic Journal
Accession number :
179273076
Full Text :
https://doi.org/10.1080/10406638.2023.2257848