LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH
The Molecule 2D Editor node allows for creation and modification of chemical structures. To do this, open the node dialog and use the tools to draw a new structure and give it a name or connect a table of molecules that can be edited using the editor. It is also possible to copy a SMILES code and paste it into the 2D-editor. Multiple SMILES codes can be added to the editor to create a list of structures to be used as input for the NDR IL Profiler node.
To use this node in KNIME, install LigandScout Extensions for the KNIME Workbench from the following update site:
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