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Modified Tanimoto distance measure for Knime

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KNIME plugin for calculating distance of bitvectors using Modifed Tanimoto similarity index. Implements similarity index according to Fligner, Michael A., et al. “A Modification of the Jaccard-Tanimoto Similarity Index for Diverse Selection of Chemical Compounds Using Binary Strings.” Technometrics, vol. 44, no. 2, 2002, pp. 110–119.

Followed for this repo.



Steps to get distance measure inside KNIME:

  1. Goto Help > Install new software ... menu
  2. Press add button
  3. Fill text fields with
  4. Select --all sites-- in work with pulldown
  5. Open KNIME 3D-e-Chem Contributions folder
  6. Select Modified Tanimoto Distance measure
  7. Install sofware & restart


The Modified Tanimoto distance measure can be selected inside the Bit Vector Distances node.

For description of distance measurement framework see

See example workflow in examples folder.


mvn verify

Jar has been made in nl.esciencecenter.e3dchem.modifiedtanimoto/target folder. An Eclipse update site will be made in nl.esciencecenter.e3dchem.p2/target/repository repository.


Steps to get development environment setup based on

  1. Install Java 8
  2. Install Eclipse for RCP and RAP developers
  3. Configure Java 8 inside Eclipse Window > Preferences > Java > Installed JREs
  4. Import this repo as an Existing Maven project
  5. Activate target platform by going to Window > Preferences > Plug-in Development > Target Platform and check the KNIME Analytics Platform (4.0) - nl.esciencecenter.e3dchem.modifiedtanimoto.targetplatform/ target definition.

During import the Tycho Eclipse providers must be installed.


Tests for the node are in tests/src directory. Tests can be executed with mvn verify, they will be run in a separate Knime environment.

Unit tests

Unit tests written in Junit4 format can be put in nl.esciencecenter.e3dchem.modifiedtanimoto.tests/src/java.

Workflow tests


New release

  1. Update versions in pom files with mvn org.eclipse.tycho:tycho-versions-plugin:set-version -DnewVersion=<version>-SNAPSHOT command.
  2. Commit and push changes
  3. Create package with mvn package, will create update site in nl.esciencecenter.e3dchem.p2/target/repository
  4. Append new release to 3D-e-Chem update site
  5. Make clone of repo
  6. Append release to 3D-e-Chem update site with mvn install<3D-e-Chem repo/updates>
  7. Commit and push changes in this repo and repo
  8. Make nodes available to 3D-e-Chem KNIME feature by following steps at


Knime plugin for calculating distance of bitvector using Modifed Tanimoto similarity index




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