Applications
In cheminformatics and in mathematical chemistry, graph isomorphism testing is used to identify a chemical compound within a chemical database. Also, in organic mathematical chemistry graph isomorphism testing is useful for generation of molecular graphs and for computer synthesis.
Chemical database search is an example of graphical data mining, where the graph canonization approach is often used. In particular, a number of identifiers for chemical substances, such as SMILES and InChI, designed to provide a standard and human-readable way to encode molecular information and to facilitate the search for such information in databases and on the web, use canonization step in their computation, which is essentially the canonization of the graph which represents the molecule.
In electronic design automation graph isomorphism is the basis of the Layout Versus Schematic (LVS) circuit design step, which is a verification whether the electric circuits represented by a circuit schematic and an integrated circuit layout are the same.
Read more about this topic: Graph Isomorphism Problem