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  • RDKit R-Group Decomposition (deprecated)
NodeNode / Manipulator

RDKit R-Group Decomposition (deprecated)

Community Nodes RDKit Experimental
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Does an R-Group decomposition for an input RDKit Mol column. It is planned to deprecate this node soon, so that it cannot be used in new workflows anymore. It will be replaced by a new one developed based on RDKit functionality that was added in 2018/2019.

Node details

Input ports
  1. Type: Table
    Data
    Data with SMILES or RDKit Molecule column
Output ports
  1. Type: Table
    Table with R groups
    Table with R groups added

Extension

The RDKit R-Group Decomposition (deprecated) node is part of this extension:

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Related workflows & nodes

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    Finding scaffolds and sidechains
    Demonstrates use of RDKit functionality to identify the likely scaffold for a set of comp…
    knime > Examples > 99_Community > 03_RDKit > 06_Find_Scaffolds_And_Sidechains
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