Subgraph maximum common

Raymond JW, Willett P. Maximum common subgraph isomorphism algorithms for the matching of chemical structures. J Comput-Aided Mol Des 2002 16 521-33. 

Let us find the optimal local similarity, or the maximum common subgraph, of two graphs ... 

Figure 3. When a reaction (1) is added to the data base its MXC (2) and CXC (3) are also added. The reaction is then compared with other reactions (4) and a maximum common subgraph (5) is added.

In order to find the maximum common subgraph between two graphs G and H, the following approach is frequently used. Firstly, a so-called product graph is created. The graph contains a node for all possible assignments of nodes from one graph to the other. 

Maximum common subgraph isomorphism algorithms are used to locate the largest common part that two strnctnres have in common. These algorithms are nsed to find similar strnctnres. 

Maximum Common Subgraph Isomorphism is a method from mathematical graph theory used to locate the largest part that two structures have in common to find similar structures. 

Sayle RA, Batista JJ, Grant A (2013) An efficient maximum common subgraph(MCS) searching oflaige chemical databases. J Cheminformat 5(1) 015... 

McGregor J, Willett R Use of a maximum common subgraph algorithm in the automatic identification of the ostensible bond changes occurring in chemical reactions. J Chem Inf Comput Sci 1998 21 137-140. 

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