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  • RDKit Find Murcko Scaffolds
NodeNode / Manipulator

RDKit Find Murcko Scaffolds

streamable

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

Node details

Input ports
  1. Data Type: Data
    Data with RDKit Mol column
Output ports
  1. Data with scaffold column Type: Data
    Data with the Murcko scaffold column

Related workflows & nodes

  1. text2str
    Chemical name text mining. Details on MyExperiment site.
    sauberns > Public > text2str
  2. cumulative_scaffold_frequency_plot
    scapuzzi > Public > CSFP_HUB > cumulative_scaffold_frequency_plot
Extension

This node is part of the extension

RDKit KNIME integrationTrusted extension
Version 4.1.0
Short link

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