Quantitative Structure Property Analysis of Anti-Covid-19 Drugs

Abstract

Inspired by recent work on anti-covid-19 drugs \cite{2} here we study the Quantitative-structure property relationships(QSPR) of phytochemicals screened against SARS-CoV-2 $3C{L}^{pro}$ with the help of topological indices like the first Zagreb index $M_1$, second Zagreb index $M_2$, Randi$\acute{c}$ index $R$, Balban index $J$ and sum-connectivity index $SCI(G)$. Our study has raveled that the sum-connectivity index $(SCI)$ and the first Zagreb index $(M_1)$ are two important parameters to predict the molecular weight and the topological polar surface area of phytochemicals respectively.