All Classes

Class	Description
ErtlFunctionalGroupsFinder	Finds and extracts a molecule's functional groups in a purely rule-based manner.
ErtlFunctionalGroupsFinder.Mode	Defines the mode for generalizing functional group environments (default), keeping them whole, or only extracting marked atoms.
ErtlFunctionalGroupsFinderPerformanceSnapshotApp	An application for testing the performance of the ErtlFunctionalGroupsFinder.find() method under parallelization on multiple threads.
ErtlFunctionalGroupsFinderUtility	This class gives utility methods for using ErtlFunctionalGroupsFinder, a CDK-based implementation, published here of the Ertl algorithm for automated functional groups detection.
ExtractFunctionalGroupsTask	A Callable thread that extracts functional groups from all molecules in a given array using the ErtlFunctionalGroupsFinder class.
Main	Main class for starting application.