0 ×

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.

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.

BIRTReportingSDFPubChem
Chemical Report ExampleThe workflow demonstrates how to generate a basic report that contains chemical structures. full datacluster centroidsRead Example Data from PubChem (100 structures) Cluster w/ kMedoids Data to Report Data to Report SDF Reader Chemical Report ExampleThe workflow demonstrates how to generate a basic report that contains chemical structures. full datacluster centroidsRead Example Data from PubChem (100 structures) Cluster w/ kMedoids Data to Report Data to Report SDF Reader

Download

Get this workflow from the following link: Download

Resources

Nodes

03_​Example_​for_​a_​Chemical_​Report consists of the following 10 nodes(s):

Plugins

03_​Example_​for_​a_​Chemical_​Report contains nodes provided by the following 5 plugin(s):