Abstract:
Graph theory serves as the fundamental framework for chemical informatics,
utilizing topological indices to generate chemical structures and establish
connections between real numbers and molecular graphs. In 1974, Gutman and
Trinajstic introduced connection-based Zagreb indices as molecular descriptors to
analyze the topological properties of chemical compounds. These indices were
subsequently named Zagreb indices. Building on this research, Ali et al. further
explored the applicability and properties of Zagreb indices in theoretical
chemistry and molecular modeling. This thesis specifically focuses on the
computation of connection-based number indices for triglycerides, as well as their
line and para-line graphs. By studying these indices, the aim is to gain insights
into the topological characteristics of triglyceride structures and their
corresponding graph representations. This research contributes to the broader field
of chemical informatics, providing valuable information for the analysis and
modeling of complex molecules.
