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Solution

Add the SMILES andcompound ChEMBLIDs using a Joiner Remove any rowcontaining amissing value Pivot the data tohave assay data incolumns andcompounds in rows Read activity dataRead compound dataNode 210Node 211Node 212 Excel Reader (XLS)(deprecated) File Reader Activity clustering Preprocess Data View Selections Pivoting Missing Value Joiner Add the SMILES andcompound ChEMBLIDs using a Joiner Remove any rowcontaining amissing value Pivot the data tohave assay data incolumns andcompounds in rows Read activity dataRead compound dataNode 210Node 211Node 212Excel Reader (XLS)(deprecated) File Reader Activity clustering Preprocess Data View Selections Pivoting Missing Value Joiner

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

Download Workflow
Created by: glandrum
Created at: 2019-09-23
On NodePit since: 2022-02-06
Last update: 2024-04-26
Created with KNIME version: v4.1.1

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