An algorithm has been devised which, when applied to a canonical connection table description of an organic molecule, produces the functional groups therein. The procedure has been programmed for all non-heterocyclic molecules containing chlorine, sulphur, phosphorus, oxygen, nitrogen, and carbon atoms.
A. Esack and M. Bersohn, J. Chem. Soc., Perkin Trans. 1, 1974, 2463 DOI: 10.1039/P19740002463
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