论文标题
抗COVID 19药物的定量结构性质分析
Quantitative Structure Property Analysis of Anti-Covid-19 Drugs
论文作者
论文摘要
受到抗COVID-19药物的最新工作的启发，我们在这里研究了phytotogicals的定量结构属性关系（QSPR），借助于topological Indices，例如第一个Zagreb index $ m_ {1} $ _____________________2 randi $ \急性{c} $索引$ r $，巴尔班索引$ j $和sum-connectitive index $ sci（g）$。我们的研究表明，总和指数指数$（SCI）$和第一个Zagreb索引$（M_ {1}）$是两个重要参数，用于预测分子量的分子量和植物化学物质的拓扑极性表面积。
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 $3CL^{pro}$ 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.
