Valence Checker


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.

Input Ports

  1. Type: Data Table containing molecule or reaction structures.

Output Ports

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

Find here

Community Nodes > Indigo 2 > Properties

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