Abstract:
The use of graph theory to many fields of study has increased significantly, especially in
the field of chemical graph theory. Many scholars have been able to explore a range of new
directions in the last few years. A chemical graph is a named graph in which the atoms of a
compound are represented at the vertices, and the edges represent chemical bonds between
atoms. Determining various physical and chemical properties of the molecular structures
under study requires an examination of topological indices. Firstly, we focused on degree
based topological indices, namely Randic index, atom bond connectivity index, geomet-
ric arithmetic index, the first and the second Zagreb indices and co-indices, the first and
the second multiple Zagreb indices and co-indices, hyper Zagreb index, forgotten index,
augmented Zagreb index, Balaban index, redefined Zagreb type indices, of Benzyl Sul-
famoyl Network BSb. Afterwards, we found the physical measures like heat of formation
of Benzyl Sulfamoyl Network BSb. Then, we fitted curves between different indices and
corresponding heat of formation. Curve fitting was done in MATLAB through different
methods based on linearity and non-linearity. The performance of the method was tested
using mean squared error (MSE), the sum of squared errors (SSE) or R2. Further, we gave
graphical representations of these indices. These mathematical frameworks might provide
a way to study the thermo dynamical properties of the chemical structure Benzyl Sulfamoyl
Network BSb.
