The chemical theory of graphs is a branch of mathematical chemistry that applies graph theory to mathematical models used to describe chemical phenomena. The pioneers of the chemical theory of the graphs are Alexandru Balaban, Ivan Gutman, Haruo Hosoya, and Nenad Trinajstić. In 1988 it was reported that several hundred researchers work in this area producing about 500 articles annually. A number of monographs were also written in this area, including the two-volume Trinajstić text, Chemical Graph Theory, which summarized the knowledge gained in the field until the mid-1980s.
The proponents of this theory argue that the properties of a chemical graph, that is, a graph-theoretic representation of a molecule, provides valuable information on the chemical phenomenon. Opponents argue instead that graphs have only a marginal role in chemical research. Notemodify wikitesto
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