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20230105 Pikairos How to Calculate Hamming Distances from Tanimoto Distances

FingerprintsMoleculesSmilesTanimotoHamming
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Jan 5, 2023 3:04 PM
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This workflow provides a possible solution to question asked by BenJones in KNIME Forum post #58381: Does anyone know of a Hamming distance node that is available? The example is appropriate to the comparison of Bit Vectors, i.e. fingerprints from SMILES

External resources

  • Hamming distance node?
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Used extensions & nodes

Created with KNIME Analytics Platform version 4.5.2 Note: Not all extensions may be displayed.
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    KNIME Base Chemistry Types & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

    knime
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    KNIME Base nodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.2

    knime
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    KNIME Math Expression (JEP)Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

    knime
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    RDKit Nodes FeatureTrusted extension

    NIBR

    Version 4.5.0

    manuelschwarze
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    Vernalis KNIME NodesTrusted extension

    Vernalis Research Ltd, Cambridge, UK

    Version 1.31.0

    vernalis

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