InChi

Other

This node takes a table containing a column with molecules as a target and append new column with these objects in InChi format and, if required, with InChiKey representation(both column types are String).

Supported types:

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

The node is based on the Indigo cheminformatics toolkit.

Input Ports

  1. Type: Data Table containing molecules.

Output Ports

  1. Type: Data The same as input, but with a new string column containing InChi representations. One more column with corresponding InChiKey representation can be appended as well.

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Community Nodes > Indigo 2 > Properties

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