Isomer Enumerator

Manipulator

This node enumerates all the isomers of the input molecules.

Supported types:

  • Molecule: String, SDF, Smiles, CML, Mol, InChI

The node is based on the Indigo cheminformatics toolkit.

Input Ports

  1. Type: Data Table containing a column with molecules

Output Ports

  1. Type: Data Molecule isomers

Find here

Community Nodes > Indigo 2 > Molecule Nodes

Make sure to have this extension installed:

Indigo KNIME integration

Update site for KNIME Analytics Platform 3.7:
Stable Community Contributions

How to add and enable update sites

How to install extensions