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02_​ChEMBL_​Structure_​Search

ChEMBL_Structure_Search

This workflow implements substructure and similarity searches through ChEMBLdb using its API.

The workflow is implemented using internal KNIME nodes, in particular GET Request Nodes.

ChEMBL_Structure_Search Structure searches using the ChEMBL web services Get SMILESstrings from user Call web service and selectinteresing rows Call details webservice Downloadresults compound ChEMBL StructureSearch Display Look Up Results Moleculedetails call Rule-basedRow Splitter input SMILES ChEMBL search Download file ChEMBL_Structure_Search Structure searches using the ChEMBL web services Get SMILESstrings from user Call web service and selectinteresing rows Call details webservice Downloadresults compound ChEMBL StructureSearch Display Look Up Results Moleculedetails call Rule-basedRow Splitter input SMILES ChEMBL search Download file

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: daria_knime
Created at: 2017-12-11
On NodePit since: 2023-03-15
Last update: 2026-01-06
Created with KNIME version: v5.2.1
Tags: RESTREST ServiceJavaScriptChEMBLFile Download

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