NodeCombinatorial Reaction Enumeration (beta)

Manipulator

This node generates reactions by the specified reaction pattern and the input molecules. See the examples for more details.

Supported types:

  • Query reaction: String, Rxn, Smiles, SMARTS

The node is based on the Indigo cheminformatics toolkit.

Input Ports

  1. Port Type: Data
    Table with a single query reaction.
  2. Port Type: Data
    First molecules set
  3. Port Type: Data
    Optional second molecules set

Output Ports

  1. Port Type: Data
    Reactions generated by the specified reaction pattern and the input molecules