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.

This is a companion discussion topic for the original entry at

Hi, thanks for the example. When I execute the workflow without modification I get a notice that there is an error in the report. Clicking on details it tells me:
Line 1021: The Extendeditem must be able to access one data set.
Line 2124: The Table must be able to access one data set

Thanks, Scott

Hi @rscottrowland2 -

For some reason, the datasets in the workflow where no longer bound to their associated chart and tables. Strange.

I made a couple of changes to the data bindings… for example, this one, to the chart.

2020-04-24 15_14_22-KNIME Analytics Platform

Does the attached version of the workflow perform better for you?

03_Example_for_a_Chemical_Report_Edited.knwf (506.6 KB)