ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

A Comprehensive computational framework for drug assessment in ear disease using graph-theoretical descriptors and decision-making models

Muhammad Waheed Rasheed, Rashad Ismail, Jahangeer Karamat, and Saddam Hussain

Department of Mathematics, COMSATS University Islamabad, Vehari, Pakistan

E-mail: waheedrasheed461@gmail.com

Received: 5 July 2025  Accepted: 17 September 2025

Abstract:

This study presents a computational framework based on graph-theoretical descriptors and Multi-Criteria Decision-Making (MCDM) models to evaluate potential drug candidates for the treatment of ear disease. Molecular descriptors, particularly Banhatti indices, were computed to capture essential structural features of drug molecules. Statistical analysis using correlation and \(R^{2}\) values established strong links between these descriptors and physicochemical properties. To prioritize drugs, three MCDM methods, namely Entropy, Simple Additive Weighting (SAW), and Weighted Aggregated Sum Product Assessment (WASPAS), were applied. The integrated approach provides a reliable and comprehensive assessment, enabling more informed selection of effective treatments for ear disease.

Keywords: Ear disease; Drugs; Banhatti indices; QSPR analysis; MCDM techniques (Entropy, SAW, and WASPAS)

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-025-04394-w

Chemical Papers 80 (1) 321–333 (2026)