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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 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 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: 2019-07-12
Last update: 2024-04-18
Created with KNIME version: v3.5.0
Tags: REST REST Service JavaScript ChEMBL File Download

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