On Novel Mathematical Modeling for Studying a Class of Nonlinear Caputo-Type Fractional-Order Boundary Value Problems Emerging in CGT

Abstract

Chemical graph theory (CGT) is a field of mathematical science that applies classical graph theory to chemical structures and processes. Chemical graphs are the principal data format used in cheminformatics to illustrate chemical interactions. Several researchers have addressed boundary-value problems using star graphs. Star graphs were used since their method requires a central point linked to other vertices but not to itself. Our objective is to expand the mechanism by introducing the idea of an isobutane graph that has the chemical formula C4H10 and CAS number 75-28-5. By using the appropriate fixed point theory findings, this paper investigates the existence of solutions to fractional boundary value problems of Caputo type on such graphs. Additionally, two examples are provided to strengthen our important conclusions.