ADMET and quantitative structure property relationship analysis of <scp>anti‐Covid</scp> drugs against omicron variant with some degree‐based topological indices

Abstract Chemical graph theory is one of the important fields in mathematical chemistry which provides a useful tool called topological indices transforms chemical structure molecule into numerical value. Topological are used to investigate physicochemical properties, pharmaco‐kinetic biological activity quantitative property relationship (QSPR) and structure–activity relationship. The most life‐threatening disease world facing COVID‐19 its prominent variants like alpha, beta, delta omicron variants. deemed contagious strains SARS‐CoV‐2 virus. Since there no exact drug for these variants, but researches been carried out with some existing new drugs effective against Favipiravir, Baricitinib, Fluvoxamine, Nirmatrelvir Molnupiravir currently treat variant. In this paper QSPR model designed predict selected properties ADMET above aforesaid by using degree‐based such as first K Banhatti index, second hyper modified index harmonic via M‐Polynomial. analyses done quadratic cubic regression method respectively. results obtained can be expanded correlate several other associated drugability potential candidates that further utilized construct disease‐based library drugs.