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Fingerprints

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

Node details

Input ports
  1. Type: Table
    Molecule input
    Table containing molecular structure based on which the fingerprints should be calculated.
Output ports
  1. Type: Table
    Input with fingerprints
    As input but with an additional column.

Extension

The Fingerprints node is part of this extension:

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Related workflows & nodes

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