RDKit To Molecule

Converts RDKit molecules into string based molecule representations (SDF or Smiles) and appends it to the table.

Options

RDKit mol column
The column containing RDKit molecules to be converted.
New column name
Name of the new column appended to the output table.
Remove source column
If checked, the input RDKit mol column is removed from the output table.
Destination format
The format to which the RDKit molecules will be converted.
  • SDF: Converts molecules to SDF (Structure Data File) format.
  • Smiles: Converts molecules to canonical SMILES notation.
  • Smarts: Converts molecules to SMARTS notation.

Input Ports

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Table containing RDKit molecules.

Output Ports

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Table with the molecules' converted string representations.

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Installation

To use this node in KNIME, install the extension RDKit Nodes Feature from the below update site following our NodePit Product and Node Installation Guide:

v5.12
Plugin provider: Novartis
Plugin version: 6.0.0.v202607101001
On NodePit since: 2026-07-06
Last update: 2026-07-24
Tags: StreamableModern UI
KNIME versions: v5.12, v5.11, v5.10, v5.9, v5.8, v5.7, v5.6, v5.5, v5.4, v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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