BI-DISTANCE METHOD FOR DETERMINING THE TOPOLOGICAL DESCRIPTORS OF SHEET SILICATE MOLECULAR STRUCTURE

Muhammad Asad Jameel; Saima Mushtaq; Zunera Shoukat; Faiqa Tabassum; Syeda Mehrooz Abid

Authors

Muhammad Asad Jameel
Saima Mushtaq
Zunera Shoukat
Faiqa Tabassum
Syeda Mehrooz Abid

Keywords:

bi-distance edges, molecular structure, topological index, Randić index, Zagreb index, forgotten index, sheet silicate, structure analysis

Abstract

Topological indices are graph-invariant numbers that describe a network's structure, used in quantitative structure-activity relationships (QSARs) to relate molecular structure to biological activities. This research proposal explores Bi-distance degree-based topological descriptors, including Bi-distance of atom bond connectivity, Randić index, geometric arithmetic, hyper Zagreb, forgotten, first and second Zagreb, Zagreb augmented, and redefined Zagreb indices, for oxide and silicate molecular structures. By partitioning edge sets by degree and cardinality, these indices are computed using combinatorics. Results show that Zagreb indices, atom bond connectivity, and forgotten index can be calculated using the Bi-distance method, providing a new approach to understanding molecular structure. This research will help readers estimate results that shed light on the biological activities and physical characteristics of silicate molecules, with applications in pharmaceutical and biological networks. The study demonstrates the utility of topological indices in graph theory for analyzing structural features of chemical compounds.