RDKit Find Murcko Scaffolds

Generates the Murcko scaffold for an input RDKit Mol column and appends it to the table.

Options

RDKit mol column

The column containing RDKit molecules for which the Murcko scaffold will be computed.

New column name

Name of the new column appended to the output table containing the Murcko scaffold.

Remove source column

If checked, the input RDKit mol column is removed from the output table.

Create frameworks

If checked, generic Murcko frameworks are generated (all atoms replaced by carbon, all bonds replaced by single bonds) instead of standard Murcko scaffolds.

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Workflows

• 2026_0506_OpenADMET_PXR Blind_Challenge_Phase1_01_Exploratory_Data_AnalysisKNIME Hub
• Calculate FCsp3 and FHAsp3KNIME Hub
• chin-a5-arndt-laufer-Extended2KNIME Hub
• DrugRepurposingPipeline_OpenTargetsKNIME Hub
• Molecular fragments recommendation systemNodePit Space
• Show all 17 workflows

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