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RDKit From Molecule

Community NodesRDKitConverters
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Generates RDKit molecule column from a molecule string representation (SMILES, SDF or SMARTS) and appends it to the table. Depending on the input format of the molecule the usage of some options is not possible. All grayed out options are not taken into account when the RDKit molecule gets generated, regardless if flagged or not.

Node details

Input ports
  1. Type: Table
    Data
    Data with Smiles or SDF representation of molecules
Output ports
  1. Type: Table
    Output data
    Data with RDKit molecule column
  2. Type: Table
    Erroneous input data
    Rows that could not be converted to a RDKit molecule

Extension

The RDKit From Molecule 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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