Substructure search dashboard

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.

External resources

• Flow Variables