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ChEMBL Molecule Search

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VersionV1.2.2Latest, created on 
Jun 5, 2025 2:15 PM
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This component facilitates the identification of compounds within the ChEMBL database that are structurally similar to or contain a specific substructure of a given query molecule. Utilizing the powerful ChEMBL REST API, this tool supports both similarity and substructure searches.

Component details

Input ports
  1. Type: Table
    Reference molecules
    Reference molecules
Output ports
  1. Type: Table
    ChEMBL molecules
    ChEMBL molecules

Used extensions & nodes

Created with KNIME Analytics Platform version 5.2.6
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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 5.2.6

    knime
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    KNIME JavasnippetTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.6

    knime
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    KNIME JSON-ProcessingTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.2

    knime
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    KNIME Math Expression (JEP)Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.0

    knime
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    KNIME Quick FormsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.6

    knime
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    KNIME REST Client ExtensionTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 5.2.5

    knime
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    Vernalis KNIME NodesTrusted extension

    Vernalis Research Ltd, Cambridge, UK

    Version 1.37.0

    vernalis

This component does not have nodes, extensions, nested components and related workflows

Legal

By using or downloading the component, you agree to our terms and conditions.

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