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Fetching bioactivity data from ChEMBL

This workflow fetches bioactivity data from ChEMBL and will be used for the PDH KNIME Demonstration on 3/27/2023.

From EXAMPLES Server, 50-Applications, 30-RESTful_ChEMBL, 03_ChEMBL_bioactivity search extract count of activitiesrm missingget countmod($count$/1000,1)rest_loops$count$/1000 - $modulus_count$ +1Node 121create a linkto get countof activitiesRemovemissingPass collection query to listUnpack listper rowExtract up to 1000 bioactivitiesfor each compoundUnpack properties per columnRemoving Query url, status, content type, target chembl_id, target organism,iterationCreatingQuery urlNode 173Node 174Node 175Node 181 GET Request Row Filter JSON Path Math Formula Math Formula Table Row to Variable(deprecated) String Manipulation Row Filter JSON Path Ungroup GET Request JSON Path Column Filter String Manipulation Math Formula(Variable) Counting Loop Start(deprecated) Loop End(deprecated) Enter ChEMBL_ID Table View From EXAMPLES Server, 50-Applications, 30-RESTful_ChEMBL, 03_ChEMBL_bioactivity search extract count of activitiesrm missingget countmod($count$/1000,1)rest_loops$count$/1000 - $modulus_count$ +1Node 121create a linkto get countof activitiesRemovemissingPass collection query to listUnpack listper rowExtract up to 1000 bioactivitiesfor each compoundUnpack properties per columnRemoving Query url, status, content type, target chembl_id, target organism,iterationCreatingQuery urlNode 173Node 174Node 175Node 181 GET Request Row Filter JSON Path Math Formula Math Formula Table Row to Variable(deprecated) String Manipulation Row Filter JSON Path Ungroup GET Request JSON Path Column Filter String Manipulation Math Formula(Variable) Counting Loop Start(deprecated) Loop End(deprecated) Enter ChEMBL_ID Table View

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

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Created by: coral
Created at: 2023-03-26
On NodePit since: 2023-03-27
Last update: 2024-11-23
Created with KNIME version: v4.5.2

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