Significance of the fourth atom bond connectivity index in predicting the physicochemical properties of polycyclic aromatic hydrocarbons

Chemical graph theory mainly deals with quantitative structure-activity (QSAR) and structure property relationships (QSPR) studies. A large number of topological indices have been introduced by various eminent researchers. These are found to be useful in those studies. In this paper, we focused on the fourth atom bond connectivity index and how it can be used for the accurate prediction of physicochemical properties of polycyclic aromatic hydrocarbons, considered as graphene fragments. These properties were boiling point, molar entropy, acentric factor, logarithm of octanol-water partition coefficient, and Kovats retention index.