Molecular Descriptor / Property Calculation
This workflow highlights two different free extensions for the calculation of molecular descriptors, using either the RDKit or the KNIME CDK.
Workflow
Descriptor Calculation
Used extensions & nodes
Created with KNIME Analytics Platform version 5.3.3
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KNIME AG, Zurich, Switzerland
Version 5.3.3
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University Konstanz and EBI
Version 1.5.600
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Novartis
Version 5.0.0
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