Advanced QSPR modeling of profens using machine learning and molecular descriptors for NSAID analysis

Advanced QSPR modeling of profens using machine learning and molecular descriptors for NSAID analysis

Abstract In this paper, we present a predictive model based on artificial neural network (ANN) to evaluate principal physicochemical properties of a set of anti-inflammatory drugs based on chosen topological indices. The molecular descriptors were calculated from molecular structures and employed as...

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Bibliographic Details
Main Authors: W. Eltayeb Ahmed, Muhammad Farhan Hanif, Muhammad Kamran Siddiqui, Brima Gegbe
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
QSPR
Topological indices
NSAIDs
Graph theory
Machine learning
Drug design
Online Access:https://doi.org/10.1038/s41598-025-09878-z
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https://doi.org/10.1038/s41598-025-09878-z

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