Cheminformatics
This directory contains 22 workflows.
Automated Database Report
Automated Database Report This workflow demonstrates the access to a database containing chemical structures and assay results, the calculation of […]
Compound Exploration Data App
<p>Compound Exploration Data App<br><br>If run as a Data App, this workflow is a simple interactive web app helping to explore potential compounds. First, […]
Matched Molecular Pairs Analysis
This workflow demonstrates how to to matched molecular pair analysis in KNIME and proposes a way how to deal with biological assay data that includes a […]
Tox Alert Skin Sensitization example workflow
Tox Alert Skin Sensitization example workflow This workflow demonstrates the use of the Tox Alert Skin Sensitization component. Here we use it to flag […]