This article examines newly introduced eccentricity topological descriptors that are used to analyze the structures of polycyclic aromatic hydrocarbons. The purpose is to identify structural components that have a significant impact on physicochemical properties. Regression analysis applies to find potential correlation between different drugs characteristics like bioavailability, toxicity and efficacy. The correlation between various polycyclic aromatic hydrocarbons physicochemical properties and the eccentric topological indices is then expressed through the construction of a significant linear regression model. The results show that topological indices and linear regression are useful in predicting significant characteristics of polycyclic aromatic hydrocarbons.