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Valence Checker

Community NodesIndigo 2Properties
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This node accepts a table with structures and divides it into two sets, one with structures that have correct valencies on atoms, and the other with valence errors.

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
    Table containing molecule or reaction structures.
Output ports
  1. Type: Table
    Valid structures
    Valid structures are copied as is.
  2. Type: Table
    Invalid structures
    Invalid structures are supplied with an error message.
  3. Type: Table
    Invalid input data
    Invalid input data (like missing cells or unconvertible into indigo data). Rows are exactly the same as input.

Extension

The Valence Checker node is part of this extension:

  1. Go to item

Related workflows & nodes

  1. Go to item
  2. Go to item
  3. Go to item

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