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240403 search for similar molecules

Tanimoto similarityHigh throughput screening
neuenschwanm profile image
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Apr 3, 2024 8:14 AM
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This worfklow takes a hitlist from a primary screen, and then looks for similar molecules in a reference library. The similar molecules are presented as a concatenated list of identifiers and corresponding Tanimoto similarities.
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Used extensions & nodes

Created with KNIME Analytics Platform version 5.2.1
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    KNIME Base Chemistry Types & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.0

    knime
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    KNIME Base nodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.1

    knime
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    KNIME-CDK

    University Konstanz and EBI

    Version 1.5.600

    egonw
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    KNIME Distance MatrixTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.0

    knime

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