Substructure isomorphism, finding

Substructure Search. Application of subgraph isomorphism" search to chemical structures. This consists of finding a particular arrangement of atoms and bonds as they are embedded in a chemical structure. The arrangement being searched for is termed the query substructure, the structures being searched are termed the candidates, and any particular structure in that set is termed a target structure. If the query substructure is... 

However, a unique enumeration does not solve the problem of substructure search. Superimposition of substructures on structures would require the mapping of any combination of molecular graphs to find a graph isomorphism this is a tedious and time-consuming process. Because the rate of search is always one of the most important limitations for database applications, substructure search should incorporate additional preprocessing steps that restrict the number of molecules to be compared in an atom-by-atom matching algorithm. 

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