After the oxidation and spin state of each metal have been determined, the bonding environment around the metal atoms are characterized using previously calculated bonding information (see "Bonding"). For each metal, we then construct a MoleculeGraph of the molecule with that metal removed. Using this graph, we search for molecules with the same connectivity and the appropriate charge and spin multiplicity. If appropriate MoleculeDocs can be located for both the metal (M in the previous chemical equation) and the molecule without the metal (A), then we calculate the reaction thermodynamics using previouslyconstructed MoleculeThermoDocs (see "Molecular Thermodynamics").