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| OEChem - C++ Theory Manual
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OEChem includes facilities to perform different types of pattern (graph) matching. Graph matching is based on node (atom) and edge (bond) correspondences. An atom which satisfies the conditions of a node in a query graph is said to match. Likewise, a bond which satisfies the conditions of an edge in a query graph is said to match. Pattern matching is the process of identifying groupings of matching nodes and edges. Substructure search, or subgraph isomorphism, is the process of finding a graph match which is less than or equal to a larger graph. Maximum common substructure search is the process of identifying the maximal graph correspondence between two graphs. Clique detection is the process of finding all possible correspondences between two graphs within a set of bounds.
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