ChEMBL structure search

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Options

Column with molecules

Select the column in the input table that has valid structures to be used in the search. Accepts RDKit Molecule, SMILES and SDF as valid formats.

Similarity (%)

Enter the Tanimoto similarity index to be used. A higher similarity treshold means that there will be less results in the search

Search mode

Choose which search mode will be used to query the ChEMBL database. Options available: Exact search, similarity, and substructure search.

Nodes

• RDKit Molecule to SVG5 ×
• RowID5 ×
• Column Filter4 ×
• String Manipulation4 ×
• JSON Path3 ×
• Show all 26 nodes

Extensions

• FeatureKNIME Base Chemistry Types & Nodes
• FeatureKNIME Base nodes
• FeatureKNIME Column Expressions (Labs)
• FeatureKNIME JavaScript Views (Labs)
• FeatureKNIME Javasnippet
• Show all 9 modules

Links

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