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

  1. Download KNIME SDK from

  2. Install/Extract/start KNIME SDK

  3. Start SDK

  4. Install distance matrix nodes + m2e (Maven integration for Eclipse)

    1. Goto Help > Install new software ...
    2. Make sure Update site is in the pull down list otherwise add it
    3. Select --all sites-- in work with pulldown
    4. Open KNIME & Extensions folder
    5. Select KNIME Distance Matrix
    6. Open General Purpose Tools folder
    7. Select m2e (Maven integration for Eclipse)
    8. Install sofware & restart
  5. Import this repo as an Existing Maven project

During import the Tycho Eclipse providers must be installed.

New release

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