Drug Evaluation Based on Multiple Criteria for Dry Eye Disease: A QSPR-Enhanced VIKOR and TOPSIS Approach Utilizing Degree-Based Topological indices

A healthy human tear film constitutes proteins, electrolytes, water, lipids, mucins, and vitamins. The lack of production of tear in the eye leads to dry eye disease(DED) which is also termed as “Sjögren’s syndrome”. Utilizing degree-based topological indices on molecular graphs reveal insights into the physicochemical properties of these drugs, such as polar surface area, polarizability, boiling point, enthalpy, molar refraction, molar volume, molecular weight and complexity are crucial in predicting their efficacy in the treatment. Various studies have been carried out in QSPR/QSAR analysis using linear regression and curvilinear regression. In this article, multiple linear regression is applied to find the correlation between seven physicochemical properties and 11 topological indices for dry eye disease drugs. For the considered properties of drugs under the study, Polarizability has shown significant results with high correlation and least RMSE (R=0.996 & RMSE=1.419) using various significant topological indices. The study is extended to evaluate and rank 22 dry eye disease drugs using Multi-Criteria Decision-Making (MCDM) techniques such as TOPSIS and VIKOR. The analysis revealed that Tacrolimus and Cyclosporine being ranked number 1 and number 22 respectively as identified by TOPSIS and VIKOR.