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KNIME CDK Integration version 1.5.700.v202004290959 by KNIME GmbH, Konstanz and EMBL-EBI, Cambridge

Creates a new column containing a fingerprint for the molecules. The computations are based on the CDK toolkit.


Molecule column
Select the column containing the molecular structure.
Extended fingerprints
Generate extended fingerprints.

Input Ports

Table containing molecular structure based on which the fingerprints should be calculated.

Output Ports

As input but with an additional column.

Best Friends (Incoming)

Best Friends (Outgoing)



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