Degree based topological indices on 3D structures of antianxiety disorders drugs with QSPR analysis

Abstract People around the world have been suffering from anxiety for a long time. This disease affects about millions people worldwide each year. Antianxiety drugs are used to treat this disease.These antianxiety drugs are available in various forms including antidepressants, benzodiazepines, anticonvulsants, antihistamines, and azaperone. Topological indices can provide information about the physicochemical properties and biological properties of molecules in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) studies. In this proposed work, various topological indices are defined on some 3D molecular graphs of antianxiety drugs to help the researchers to know the physical characteristics and chemical reaction associated with them. We also discuss the QSPR analysis of twelve degree based topological indices. Furthermore, we calculate the fifth version of geometric arithmetic index and the fourth version of atom-bond connectivity index of 3D graphs. QSPR models are studied using linear regression analysis with topological indices for melting point, boiling point, enthalpy of vaporization, flash point, molar refractivity, polarizability, surface tension, and molar volume properties of these analogs.