This workflow demonstrates use of the chemical transformation node, which applies a reaction repeatedly to a set of inputs.
The dataset used in this example workflow was taken from ZINC (http://zinc.docking.org/).
Requirements:
- RDKit Community Nodes
Workflow
Chemical Transformations
Used extensions & nodes
Created with KNIME Analytics Platform version 3.3.0
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KNIME GmbH, Konstanz, Germany
Version 3.3.0
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KNIME GmbH, Konstanz, Germany
Version 3.3.1
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NIBR
Version 3.2.2
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