03_​Example_​for_​a_​Chemical_​Report_​Edited

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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. Note that the report can be viewed by clicking the report editor perspective button.
Designing rich reports with KNIME and BIRT is a large topic. For more information, see the resources section below.

Nodes

• Column Filter2 ×
• Data to Report (BIRT)2 ×
• Distance Matrix Calculate1 ×
• Fingerprints1 ×
• Missing Value1 ×
• Show all 9 nodes

Extensions

• FeatureKNIME Base Chemistry Types & Nodes
• FeatureKNIME Base nodes
• FeatureKNIME Distance Matrix
• FeatureKNIME Reporting Runtime (BIRT)
• FeatureKNIME-CDK

Links

• Reporting

  tech.knime.org/reporting
• Chemical Report Example

  forum.knime.com/p/88891