Package org.openscience.cdk.fragment
package org.openscience.cdk.fragment
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ClassDescriptionPerforms exhaustive fragmentation of molecules by breaking single non-ring, non-terminal bonds in all combinations.Specifies whether generated fragments should be saturated (hydrogens added) or unsaturated.Helper methods for fragmentation algorithms.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!).An interface for classes implementing fragmentation algorithms.An implementation of the Murcko fragmenation method [Bemis, G.W. and Murcko, M.A. . Journal of Medicinal Chemistry. 1996. 39].