This workflow demonstrates how to do substructure search on a sqlite data base. The input substructure can be given in SMILES and then modified in the sketcher, or directly be drawn in the sketcher. The molecules matching the substructure are shown in an interactive view with the substructure highlighted. Several slider filter widgets allow further filtering of molecules. The resulting molecules can be downloaded as Excel file.
Workflow
Substructure search dashboard
External resources
Used extensions & nodes
Created with KNIME Analytics Platform version 4.7.3
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