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Input ChEMBL Activities for 4D-QSAR

Input ChEMBL Activities for 4D-QSAR
Node 2Node 23ca 10s per 1000 molsNode 150Node 151Node 152Node 153Node 154Node 156Node 157Node 158Node 160Node 161Node 168Node 1354Node 1356Node 1357Node 1358Node 1359Create File Name Table Row ToVariable Loop Start Input CHEMBLID GET activitiescount GET activities Excel Reader (XLS) Column Filter Row Filter Nominal ValueRow Filter String To Number Row Filter Rule-basedRow Splitter Math Formula GroupBy CSV Writer Concatenate Variable Loop End Math Formula Java IF (Table) Table Rowto Variable End IF Node 2Node 23ca 10s per 1000 molsNode 150Node 151Node 152Node 153Node 154Node 156Node 157Node 158Node 160Node 161Node 168Node 1354Node 1356Node 1357Node 1358Node 1359Create File Name Table Row ToVariable Loop Start Input CHEMBLID GET activitiescount GET activities Excel Reader (XLS) Column Filter Row Filter Nominal ValueRow Filter String To Number Row Filter Rule-basedRow Splitter Math Formula GroupBy CSV Writer Concatenate Variable Loop End Math Formula Java IF (Table) Table Rowto Variable End IF

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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: Arash
Created at: 2020-08-13
On NodePit since: 2021-11-24
Last update: 2024-04-27
Created with KNIME version: v4.2.3
Tags: Drug DiscoveryDrug DesignCheminformaticsComputer-Aided Drug DesignCADD4D-QSAR4-Dimensional Quantitative Structure-Activity RelationshipBinding AffinityChEMBL

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