Quantitative structure–properties relationship analysis of <scp>Eigen‐value</scp>‐based indices using <scp>COVID</scp>‐19 drugs structure
Abdul Rauf, Muhammad Naeem, Asia Hanif
Abstract
Topological indices are an important method for understanding the fundamental topology of chemical structures. Quantitative structure properties relationship (QSPR) is an analytical approach for breaking down a molecule into a sequence of numerical values that describe the chemical and physical characteristics of the molecule. In this article, we have developed the QSPR analysis between eigenvalue-based topological indices and physical properties of COVID-19 drugs to predict the significance level of eigenvalue based indices. We have to use MATLAB for the computation of indices and SPSS for analysis. We show that positive interia index, signless Laplacian Estrada index and Randić energy are the best predictors of molar reactivity, polar surface area and molecular weight, respectively.