Kragujevac J

Among the variety of molecular-graph-based structure-descriptors, aimed at measuring the extent of branching of the skeleton of organic molecules, there are the Wiener index W and the spectral radius λ1 i. e., the greatest eigenvalue of the molecular graph. Although, these indices are used for decades, they have never been compared. Our computational studies show that within series of the isomeric chemical trees there exists a decreasing linear correlation between W and λ1. The relation between W and λ1 is also examined for benzenoid molecules.