Package org.openscience.cdk.graph.invariant

Class Summary

Class	Description
Canon	An implementation based on the canon algorithm [Weininger, David and Weininger, Arthur and Weininger, Joseph L., SMILES 2. Algorithm for Generation of Unique SMILES Notation, Journal of Chemical Information and Computer Sciences, 1989, 29:97-101].
CanonicalLabeler	Deprecated this labeller uses slow data structures and has been replaced - Canon
MorganNumbersTools	Compute the extended connectivity values (Morgan Numbers) [Morgan, H.L., The Generation of a Unique Machine Description for Chemical Structures - A Technique Developed at Chemical Abstracts Service., J.Chem.Doc., 1965, 5:107-113].