Predictive modeling of asthma drug properties using machine learning and topological indices in a MATLAB based QSPR study

Predictive modeling of asthma drug properties using machine learning and topological indices in a MATLAB based QSPR study

Abstract Machine learning is a vital tool in advancing drug development by accurately predicting the physical, chemical, and biological properties of various compounds. This study utilizes MATLAB program-based algorithms to calculate topological indices and machine learning algorithms to explore the...

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Bibliographic Details
Main Authors: Jalal Hatem Hussein Bayati, Abid Mahboob, Laiba Amin, Muhammad Waheed Rasheed, Abdu Alameri
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Scientific Reports
Subjects:
Asthma drugs
Reducible topological descriptors
MATLAB and Python algorithm
Machine learning
Random forest
Extreme gradient boosting
Online Access:https://doi.org/10.1038/s41598-025-07022-5
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