RDKit Count-Based Fingerprint

Manipulator

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

Extension

This node is part of the extension

RDKit KNIME integration

v3.7.0

Short Link

Drag node into KNIME Analytics Platform