Description of Next-Generation Software and a Historical Overview of the Rise of the Homodesmic Approach

This paper describes the history of the emergence of the homodesmic approach to solving the problem of organic chemistry. The importance of applying graph theory in the representation of chemical reactions for the possibility of solving chemical problems using various programming methods. An example of modeling the basis of homodesmic reactions with quantum chemical calculations for the 1,3-Dimethylcyclobutane molecule is illustrated. Representation of a molecule in the form of a graph using the modified Benson method and solving the problem through the use of adjacency matrices.