Fingerprint Similarity

Other

This node calculates the values of structural similarity of input fingerprints against a given reference fingerprint. It also can take multiple reference fingerprints and aggregate the similarity values.

Supported types: BitVector

The node is based on the Indigo cheminformatics toolkit.

Input Ports

  1. Type: Data
    Table containing fingerprints
  2. Type: Data
    Table containing reference fingerprint(s)

Output Ports

  1. Type: Data
    The same as input fingerprints, plus an extra column with similarity values

Extension

This node is part of the extension

Indigo KNIME integration

v2.0.0

Short Link

Drag node into KNIME Analytics Platform