Graph entropies of porous graphene using topological indices

Abstract

The numerical values which play a significant role in QSAR and QSPR studies are topological indices. Out of many existing topological indices, the fundamental type of such indices depend on Shannon’s entropy measures that characterizes the graphs by analysing the structural information of graphs and networks. The graph entropy measures take part in various problem domains such as graph theory, biology and chemistry. Here, the chemical graph of porous graphene of graphite structure is discussed. Several degree-based topological indices are computed using definitions viz., First Zagreb, Second Zagreb, Randic, Reciprocal Randic, Atom-bond connectivity, Geometric arithmetic, Harmonic, Sum-connectivity, ABC4 and GA5 indices. Using the calculated values of topological indices, degree and edge weighted entropy of graph, the entropy measures are calculated viz., First Zagreb entropy, Second Zagreb entropy, Randic entropy, Reciprocal Randic entropy, Atom-bond connectivity entropy, Geometric arithmetic entropy, Harmonic entropy, Sum-connectivity entropy, ABC4 entropy and GA5 entropy for the porous graphene structure.