A graph-based computational approach for modeling physicochemical properties in drug design

A graph-based computational approach for modeling physicochemical properties in drug design

Abstract The efficacy and effectiveness of antibiotics and neuropathic drugs are essentially guided by their physicochemical properties governing stability, bioavailability, and therapeutic activity. This work utilises mathematical modelling and quantitative structure-property relationship (QSPR) an...

Full description

Saved in:
Bibliographic Details
Main Authors: Ibrahim Al-Dayel, Meraj Ali Khan, Muhammad Faisal Hanif, Muhammad Kamran Siddiqui, Saba Hanif, Brima Gegbe
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Molecular graph
QSPR analysis
Antibiotic compounds
Topological indices
Regression modeling
Online Access:https://doi.org/10.1038/s41598-025-06624-3
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

https://doi.org/10.1038/s41598-025-06624-3

Similar Items