Indigo extensions for KNIME Workbench version 2.0.0.qualifier by EPAM Systems, Inc.
This node takes a table containing a column with molecules as a target and append new column with these objects in InChi format and, if required, with InChiKey representation(both column types are String).
Supported types:
The node is based on the Indigo cheminformatics toolkit.
To use this node in KNIME, install Indigo KNIME integration from the following update site:
A zipped version of the software site can be downloaded here.
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