With the introduction of reaction support earlier this year, is there any plans to provide reaction fingerprinting.
This would be a powerful feature to knime, which as far as I am aware is currently unsupported by any vendor. It will enable identifying similar reactions etc.
simon
Dear Simon,
The reaction fingerprinting is supported by Indigo nodes. You can use the 'Indigo Fingerprint' node both for the 'IndigoMolecule' and 'IndigoReaction' inputs.
With best regards,
Alexander
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