Fingerprints

Other

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

Input Ports

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

Output Ports

  1. Type: Data
    As input but with an additional column.

Extension

This node is part of the extension

KNIME-CDK

v1.5.600

Short Link

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