Molecular topological invariants of certain chemical networks

Abstract

Topological descriptors are the graph invariants that are used to explore the molecular topology of the molecular/chemical graphs. In QSAR/QSPR research, physico-chemical characteristics and topological invariants including Randić, atom-bond connectivity, and geometric arithmetic invariants are utilized to corelate and estimate the structure relationship and bioactivity of certain chemical compounds. Graph theory and discrete mathematics have discovered an impressive utilization in the area of research. In this article, we investigate the valency-depended invariants for certain chemical networks like generalized Aztec diamonds and tetrahedral diamond lattice. Moreover, the exact values of invariants for these categories of chemical networks are derived.

Weighted Mostar invariants of chemical compounds: An analysis of structural stability

“…The research of computation and assessment of topological indices of molecular structures was driven with particular prominence in nanotechnology and mathematical chemistry. Readers are directed to references [3] , [4] , [7] , [15] , [17] , [18] , [30] , [29] for a more in-depth details on this subject.…”