RDKit Count-Based Fingerprint


Generates hashed count-based fingerprints for an input RDKit Mol column and appends them to the table. Several fingerprint types are available. Not all settings are used for each type. Settings that are not supported by a fingerprint type will be disabled/hidden and will have no effect. The settings a fingerprint gets generated with are made available as column properties and can be visualized with the RDKit Interactive View Node.

Input Ports

  1. Type: Data Data with RDKit Mol column

Output Ports

  1. Type: Data Data with count-based fingerprint column

Find here

Community Nodes > RDKit > Fingerprints

Make sure to have this extension installed:

RDKit KNIME integration

Update site for KNIME Analytics Platform 3.7:
KNIME Community Contributions (3.7)

How to install extensions