KNIME CDK Integration version 1.5.700.v202006231106 by KNIME GmbH, Konstanz and EMBL-EBI, Cambridge
Create new columns holding molecular properties, computed for each structure. The computations are based on the CDK toolkit and include logP, molecular weight, number of aromatic bonds, and many others.
To use this node in KNIME, install KNIME-CDK from the following update site:
A zipped version of the software site can be downloaded here.
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