This example workflow illustrates the use of the CSD Substructure Search component. Queries may come from various sources, but must be in MOL format. The query substructure is highlighted in the output diagram, and a list of the labels of the atoms matched is also returned.
Workflow
CCDC CSD Substructure Search
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.3
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Infocom Corporation
Version 4.0.0
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KNIME AG, Zurich, Switzerland
Version 4.1.1
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KNIME AG, Zurich, Switzerland
Version 4.1.3
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KNIME AG, Zurich, Switzerland
Version 4.1.2
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KNIME AG, Zurich, Switzerland
Version 4.1.3
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KNIME AG, Zurich, Switzerland
Version 4.1.3
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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NIBR
Version 4.0.1
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