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Molecule Transformation (beta)

Community Nodes Indigo 2 Molecule Nodes
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This node transforms molecules according to reaction-base set of rules. See the examples for more details.

Supported types:

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

The node is based on the Indigo cheminformatics toolkit.

Node details

Input ports
  1. Type: Table
    Input molecules
    Table containing molecules to transform.
  2. Type: Table
    Reaction pattern
    Table containing query reactions describing transformations.
Output ports
  1. Type: Table
    Result molecules
    The transformed molecules table.

Extension

The Molecule Transformation (beta) node is part of this extension:

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