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EWDD - Workshop_​02

Screening on 12M of compounds Reported hits for H1 Tanimoto of de novomolecules against hits Node 5exaScreenconfiguration exaScreen SDF Reader Hit Similarity Screening on 12M of compounds Reported hits for H1 Tanimoto of de novomolecules against hits Node 5exaScreenconfiguration exaScreen SDF Reader Hit Similarity

Nodes

  • String Manipulation6 ×
  • Table Manipulator5 ×
  • Component Input2 ×
  • Component Output2 ×
  • Local File Browser Configuration2 ×
  • Molecule Type Cast2 ×
  • RDKit Fingerprint2 ×
  • RDKit From Molecule2 ×
  • Renderer to Image2 ×
  • SDF Reader2 ×
  • Depiction1 ×
  • Fingerprint Similarity1 ×
  • Hydrogen Manipulator1 ×
  • IF Switch1 ×
  • Image Output Widget1 ×
  • Joiner1 ×
  • Molecule to CDK1 ×
  • Rule Engine1 ×
  • SDF Writer1 ×
  • String Configuration1 ×
  • String Manipulation (Multi Column)1 ×
  • Table Column to Variable1 ×
  • Table Row to Variable1 ×
  • Table View (JavaScript)1 ×
  • Table To Image1 ×
  • Variable to Table Column1 ×
  • Variable to Table Row1 ×
  • exaScreen1 ×

Extensions

  • FeatureKNIME Base Chemistry Types & Nodes
  • FeatureKNIME Base nodes
  • FeatureKNIME JavaScript Views
  • FeatureKNIME Javasnippet
  • FeatureKNIME Quick Forms
  • Show all 9 modules

Links

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Download

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

Download Workflow
Created by: fmartin
Created at: 2024-05-06
On NodePit since: 2024-05-21
Last update: 2025-06-05
Created with KNIME version: v5.2.3

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