Exploring spectrum-based descriptors in pharmacological traits through quantitative structure property (QSPR) analysis

Exploring spectrum-based descriptors in pharmacological traits through quantitative structure property (QSPR) analysis

The study centered on Quantitative Structure Property Relationship (QSPR) analysis with a focus on various graph energies, investigating drugs like Mefloquinone, Sertraline, Niclosamide, Tizoxanide, PHA-690509, Ribavirin, Emricasan, and Sofosbuvir. Employing computational modeling techniques, the re...

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Bibliographic Details
Main Authors: Ali Raza, Muhammad Mobeen Munir
Format: Article
Language:English
Published: Frontiers Media S.A. 2024-02-01
Series:Frontiers in Physics
Subjects:
regression model
graph spectrum
spectral radius
pharmacological traits
correlation coefficient
Online Access:https://www.frontiersin.org/articles/10.3389/fphy.2024.1348407/full

Internet

https://www.frontiersin.org/articles/10.3389/fphy.2024.1348407/full

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