Component Combiner

Manipulator

This node combines the input molecule components into joined molecules and writes the result molecules into the output table column. Defines the output column type automatically.

Supported types:

  • Molecule: String, SDF, Smiles, CML, Mol, InChI
  • Query molecule: String, SMARTS, Smiles, Mol, Sdf

The node is based on the Indigo cheminformatics toolkit.

Input Ports

  1. Type: Data
    Table containing molecules or query molecules

Output Ports

  1. Type: Data
    The same as input, plus the column with the combined components
  2. Type: Data
    The same as input, contains rows with invalid data

Extension

This node is part of the extension

Indigo KNIME integration

v2.0.0

Short Link

Drag node into KNIME Analytics Platform