QSPR/QSAR study of antiviral drugs modeled as multigraphs by using TI's and MLR method to treat COVID-19 disease.

The ongoing COVID-19 pandemic continues to pose significant challenges worldwide, despite widespread vaccination. Researchers are actively exploring antiviral treatments to assess their efficacy against emerging virus variants. The aim of the study is to employ M-polynomial, neighborhood M-polynomial approach and QSPR/QSAR analysis to evaluate specific antiviral drugs including Lopinavir, Ritonavir, Arbidol, Thalidomide, Chloroquine, Hydroxychloroquine, Theaflavin and Remdesivir.

On the spectrum, energy and Laplacian energy of graphs with self-loops.

The total energy of a conjugated molecule's -electrons is a quantum-theoretical feature that has been known since the 1930s. It is determined using the Huckel tight-binding molecular orbital (HMO) method. In 1978, a modified definition of the total -electron energy was introduced, which is now known as the graph energy.