Valency based novel quantitative structure property relationship (QSPR) approach for predicting physical properties of polycyclic chemical compounds.

In this study, we introduce a novel valency-based index, the neighborhood face index (NFI), designed to characterize the structural attributes of benzenoid hydrocarbons. To assess the practical applicability of NFI, we conducted a linear regression analysis utilizing numerous physiochemical properties associated with benzenoid hydrocarbons. Remarkably, the results revealed an extraordinary correlation exceeding 0.