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03_​Example_​for_​a_​Chemical_​Report

Workflow

Chemical Report Example
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.
Chemical Report ExampleThe workflow demonstrates how to generate a basic report that contains chemical structures. Exampledata 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 tothe BIRT reporting tool using the Data to Report nodes. Note that the report can be viewed by clicking thereport editor perspective button.Designing rich reports with KNIME and BIRT is a large topic. For more information, see: https://tech.knime.org/reporting. Node 6full datacluster centroidsNode 9Read Example Data from PubChem (100 structures) Cluster w/ kMedoids Data to Report Data to Report Column Filter SDF Reader Chemical Report ExampleThe workflow demonstrates how to generate a basic report that contains chemical structures. Exampledata 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 tothe BIRT reporting tool using the Data to Report nodes. Note that the report can be viewed by clicking thereport editor perspective button.Designing rich reports with KNIME and BIRT is a large topic. For more information, see: https://tech.knime.org/reporting. Node 6full datacluster centroidsNode 9Read Example Data from PubChem (100 structures) Cluster w/ kMedoids Data to Report Data to Report Column Filter SDF Reader

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Resources

Nodes

03_​Example_​for_​a_​Chemical_​Report consists of the following 11 nodes(s):

Plugins

03_​Example_​for_​a_​Chemical_​Report contains nodes provided by the following 4 plugin(s):