This workflow demonstrates the use of the molecular sketcher component, which can be used to draw chemical structures. The component is based on the Molecule Widget node (4.3 and later).
Here, an input molecule (SMILES) is given as flow variable and then modified in the sketcher. The different structures can be compared in the output table of the Concatenate node, where the upper row contains the modified molecule and the lower row the input molecule.
Workflow
Using the Molecular Sketcher component
External resources
Used extensions & nodes
Created with KNIME Analytics Platform version 4.3.0 Note: Not all extensions may be displayed.
- Go to item
- Go to item
- Go to item
- Go to item
- Go to item
- Go to item
Legal
By using or downloading the workflow, you agree to our terms and conditions.