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  7. Virtual Compound Library ProductionVirtual Compound Library Production
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Virtual Compound Library Production

Nodes

  • Rule Engine44 ×
  • Column Filter17 ×
  • RDKit Substructure Filter14 ×
  • RDKit Descriptor Calculation13 ×
  • Constant Value Column12 ×
  • Create Collection Column12 ×
  • Missing Value12 ×
  • String Manipulation12 ×
  • Concatenate11 ×
  • MarvinSketch11 ×
  • RDKit Two Component Reaction9 ×
  • Row Filter9 ×
  • End IF8 ×
  • Table Row to Variable8 ×
  • MolConverter5 ×
  • RDKit Functional Group Filter5 ×
  • SDF Reader5 ×
  • Boolean Configuration4 ×
  • Column Appender4 ×
  • Column Resorter4 ×
  • Column Selection Configuration4 ×
  • Column Splitter4 ×
  • Component Input4 ×
  • Component Output4 ×
  • Empty Table Switch4 ×
  • Extract Table Dimension4 ×
  • Group Loop Start4 ×
  • IF Switch4 ×
  • Java Snippet4 ×
  • Joiner4 ×
  • Loop End4 ×
  • Merge Variables4 ×
  • Multiple Selection Configuration4 ×
  • Partitioning4 ×
  • RDKit From Molecule4 ×
  • RDKit Molecule Highlighting4 ×
  • RDKit Molecule Substructure Filter4 ×
  • Reference Row Filter4 ×
  • Split Collection Column4 ×
  • Table Creator4 ×
  • Transpose4 ×
  • Duplicate Row Filter2 ×
  • RDKit One Component Reaction2 ×
  • SDF Writer1 ×

Extensions

  • FeatureChemAxon/Infocom Marvin Extensions Feature
  • FeatureKNIME Base Chemistry Types & Nodes
  • FeatureKNIME Base nodes
  • FeatureKNIME Javasnippet
  • FeatureKNIME Quick Forms
  • Show all 7 modules

Links

  • No links available

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: razor
Created at: 2024-10-28
On NodePit since: 2025-06-19
Last update: 2025-06-20
Created with KNIME version: v5.4.4

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