An Introduction to the Chemical Applications of Graph Theory.

We review briefly several of the current major areas of application to chemistry. The topics covered include chemical documentation, isomer enumeration, chemical bonding theory, the study of chemical reaction networks, planning synthesis routes, macromolecules and polymers, and the use of graph invariants so-called topological indices for the description and prediction of chemical behavior. The latter topic is treated more fully in the paper immediately following this one. Where appropriate, the contributions of mathematicians, especially graph theorists, to the development of chemical graph theory have been highlighted. A number of the problems of a graph-theoretical nature which still confront the chemist are outlined. Key references to the relevant chemical literature are given, and all the major reviews in the field are cited. Graph theorists desirous of learning more about the chemical applications of their discipline may find the present elementary introduction a convenient point from which to start. Keywords Graph Theory, Chemistry, Topological Indices, Isomer Enumeration.