Package org.openscience.cdk.fragment

Interface Summary

Interface	Description
IFragmenter	An interface for classes implementing fragmentation algorithms.

Class Summary

Class	Description
ExhaustiveFragmenter	Generate fragments exhaustively.
FragmentUtils	Helper methods for fragmentation algorithms.
FunctionalGroupsFinder	Finds and extracts a molecule's functional groups in a purely rule-based manner (it is not a classical functional group identification functionality based on substructure matching!).
MurckoFragmenter	An implementation of the Murcko fragmenation method [Bemis, G.W. and Murcko, M.A. . Journal of Medicinal Chemistry. 1996. 39].