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. Author manuscript; available in PMC: 2012 Oct 1.
Published in final edited form as: Mol Biosyst. 2011 Jun 7;7(10):2779–2795. doi: 10.1039/c1mb05077j

Fig. 1.

Fig. 1

Visualization of the rule of Eq. (1). A molecule or part of a molecule is represented as a set of vertices, which represent molecular components. Vertices are labeled and may also be attributed. Here, the vertex b has the attribute P. Bonds are represented as edges. The reaction center defined by this rule is highlighted by bold vertex labels.