ChEMBL Structure Search

This component implements substructure and similarity searches through ChEMBLdb using its API. More information can be found here:
ChEMBL webservices: https://chembl.gitbook.io/chembl-interface-documentation/web-services %%00009
KNIME blog post: https://www.knime.com/blog/a-restful-way-to-find-and-retrieve-data %%00009

Options

Similarity threshold

Select similarity threshold. This will only be applied if similiarity search is the selected search type.

SMILES

Enter SMILES string.

Search Type

Select search type, either substructure or similarity search.

Nodes

• Column Filter6 ×
• Concatenate3 ×
• Row Splitter3 ×
• Rule-based Row Splitter3 ×
• String Manipulation3 ×
• Show all 23 nodes

Extensions

• FeatureKNIME Base nodes
• FeatureKNIME JavaScript Views
• FeatureKNIME Javasnippet
• FeatureKNIME JSON-Processing
• FeatureKNIME Quick Forms
• FeatureKNIME REST Client Extension

Links

• No links available