Package org.openscience.cdk.tools

Class Summary

Class	Description
ErtlFunctionalGroupsFinder	Finds and extracts a molecule's functional groups in a purely rule-based manner.
ErtlFunctionalGroupsFinderUtility	This class gives utility methods for using ErtlFunctionalGroupsFinder, a CDK-based implementation, published here of the Ertl algorithm for automated functional groups detection.

Enum Summary

Enum	Description
ErtlFunctionalGroupsFinder.Mode	Defines the mode for generalizing functional group environments (default), keeping them whole, or only extracting marked atoms.