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Hydrogen Adder

Community Nodes Indigo 2 Manipulators
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This node adds explicit hydrogens to chemical entities to fulfill the valencies.

Supported types:

  • Molecule: String, SDF, Smiles, CML, Mol, InChI
  • Reaction: String, RXN, SMILES

The node is based on the Indigo cheminformatics toolkit.

Node details

Input ports
  1. Type: Table
    Input structures
    Table containing molecule or reaction structures.
Output ports
  1. Type: Table
    Structures with hydrogens
    The same as input, but with explicit hydrogens

Extension

The Hydrogen Adder node is part of this extension:

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