Fingerprints

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

Options

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

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To use this node in KNIME, install the extension KNIME-CDK from the below update site following our NodePit Product and Node Installation Guide:

v5.3

A zipped version of the software site can be downloaded here.

Plugin provider: KNIME GmbH, Konstanz and EMBL-EBI, Cambridge

Plugin version: 1.5.700.v202407101048

On NodePit since: 2024-07-11

Last update: 2024-11-20

KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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