Mathematical modeling and estimation of physicochemical characteristics of pneumonia treatment drugs through a novel approach K-Banhatti topological descriptors

The drugs comprise linezolid, ceftabiprole, and clarithromycin, among others. Topological descriptors enable the exploration of the complexity, connectivity, and other essential attributes of molecules. The quantitative structure-property relationship (QSPR) analysis of pharmaceuticals for illness treatment employing <i>K</i>-Banhatti topological descriptors is an economical approach utilised by pharmaceutical researchers. We performed a QSPR analysis on 20 anti-pneumonia drugs to ascertain the most precise predictions for five properties: enthalpy, flash point, molecular weight, molar volume, and molar refractivity, employing five <i>K</i>-Banhatti indices. To do this, we used linear, quadratic, cubic, and biquadratic regression analyses to find links between molecules and the physical and chemical properties of drugs used to treat pneumonia. Employing molecular descriptors and regression models to investigate chemical patterns is a cost-effective and theoretical methodology.