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Chemical report example

BIRTReportingSDFPubChem
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May 5, 2020 12:11 PM
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The workflow demonstrates how to generate a basic report that contains chemical structures. Example data from PubChem is read in from an sdf file that is embedded in the workflow with the knime://knime.workflow/ relative URL. A simple k-Medoids clustering is performed, and the results are exposed to the BIRT reporting tool using the Data to Report nodes. In order to see the report, execute the entire workflow and then click "Open the report" button in the toolbar. Designing rich reports with KNIME and BIRT is a large topic. For more information, see the resources section below.

External resources

  • Reporting
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Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.2 Note: Not all extensions may be displayed.
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    KNIME Base Chemistry Types & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.1

    knime profile image
    knime
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    KNIME-CDK

    University Konstanz and EBI

    Version 1.5.600

    egonw
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    KNIME CoreTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.2

    knime profile image
    knime

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