ErtlFunctionalGroupsFinder Version 1.1.2.0

Changes:

• Update to CDK 2.8
• New utility functionality that allows not to filter single-atom input molecules
• performance test JAR now runs on its own, without the CDK JAR

ErtlFunctionalGroupsFinder Version 1.1.1.0

Release V1.1.1.0 is updated to version 2.7.1 of the Chemistry Development Kit (CDK).

ErtlFunctionalGroupsFinder Version 1.1.0.0

Release V1.1.0.0 includes utility routines for filtering, preprocessing, and postprocessing of functional groups.

ErtlFunctionalGroupsFinder Version 1.0.3.0

Release V1.0.3.0 corrects ErtlFunctionalGroupsFinderEvaluationTest.java (missing import statement).

ErtlFunctionalGroupsFinder Version 1.0.2.0

Release V1.0.2.0 contains additional jar libraries for unit testing.

ErtlFunctionalGroupsFinder Version 1.0.1.0

Release V1.0.1.0 contains minor corrections for ease of usage.

ErtlFunctionalGroupsFinder Version 1.0.0.0

Initial release.