Leap Edge Eccentricity Connectivity Index of PAMAM and Porphyrin-Cored Dendrimers
Keywords:
Graph theory, topological index, dendrimer graphsAbstract
With the rapid advancement of technology, computer-aided methods are increasingly employed to study the structural properties of chemical compounds. One such approach involves predicting chemical behavior
using topological indices—numerical descriptors derived from graph-theoretic representations of molecular structures.
In this paper, the leap edge eccentricity connectivity index is introduced distance-based topological index that can be regarded as both the edge version of the leap eccentric connectivity index and the leap version of the edge eccentric connectivity index and investigates the leap edge eccentricity connectivity index (LEECI) for Polyamidoamine (PAMAM) dendrimers and porphyrin-cored dendrimers through exact analytical computations. By modeling these nanostructures as molecular graphs, LEECI values are derived for multiple dendrimer generations and architectures. The results reveal strong correlations between branching complexity and index growth, highlighting LEECI as a promising descriptor in computational nanomaterial characterization and drug delivery design. These findings provide a foundation for integrating LEECI into predictive models linking molecular topology with experimental bioactivity.
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