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ErtlFunctionalGroupsFinder Version 1.1.2.0

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@JonasSchaub JonasSchaub released this 22 Sep 17:20
· 5 commits to master since this release

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