SchrÃ¶dinger extension for KNIME Workbench version 18.104.22.168005150914 by SchrÃ¶dinger
Generate unique SMILES strings for the input structures for the first output, repeated structures are listed in the second output. This node also automatically extracts the smiles property for both outputs. The "Retain Duplicates" option can be unchecked to filter duplicates based on the generated SMILES strings.
To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:
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