This node allows common adjustments to the matching behavior of molecules that are intended to be used as queries. Structure searches based on queries molecules are not always leading to the desired results. Often some fine tuning of the query structure helps to increase the search results. RDKit offers query properties that can be set explicitly for query molecules to influence a search. This node lets the user define the properties to be adjusted.
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To use this node in KNIME, install the extension RDKit Nodes Tests Feature from the below update site following our NodePit Product and Node Installation Guide:
A zipped version of the software site can be downloaded here.
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