Net-sign identity information index: A novel approach towards numerical characterization of chemical signed graph theory

In this work, we have made an attempt to derive a novel information theoretic topological index, net-sign identity information index, Iε from the molecular electronic structure, proposed by Lee et al. [S.-L. Lee, R.R. Lucchese, S.-Y. Chu, Chem. Phys. Lett., 137 (1987) 279] in chemical graph theory. The performance of the net-sign identity information index along with the square root of the bonding information index, √Ib and the square root of net-sign identity information index, √Iε have been compared with the most widely used molecular descriptors: Wiener index (W), Randic’s connectivity index (χ) and Balaban’s distance sum connectivity index (J) in QSPR modeling.