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knime_​example

Column selection(to be automated byColumn list loop start?) Structure matching Headers assignment Node 187Node 188Node 189Node 190Node 191Node 192Node 193Node 195Node 196Node 197Node 199Node 200Node 201Node 202Node 203Node 204Node 205Node 206 SubtractionNode 210Node 211Node 212Node 213 Column AutoType Cast ExtractColumn Header Row Splitter Column Filter Transpose Column Filter Column Appender Column ListLoop Start Column Filter Column Appender Loop End (ColumnAppend) Column Rename Transpose Column Filter Column Appender Table Creator RDKit MoleculeSubstructure Filter Insert ColumnHeader Math Formula Table Creator Molecule Type Cast Excel Reader (XLS) Molecule Type Cast Column selection(to be automated byColumn list loop start?) Structure matching Headers assignment Node 187Node 188Node 189Node 190Node 191Node 192Node 193Node 195Node 196Node 197Node 199Node 200Node 201Node 202Node 203Node 204Node 205Node 206 SubtractionNode 210Node 211Node 212Node 213 Column AutoType Cast ExtractColumn Header Row Splitter Column Filter Transpose Column Filter Column Appender Column ListLoop Start Column Filter Column Appender Loop End (ColumnAppend) Column Rename Transpose Column Filter Column Appender Table Creator RDKit MoleculeSubstructure Filter Insert ColumnHeader Math Formula Table Creator Molecule Type Cast Excel Reader (XLS) Molecule Type Cast

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Download

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

Download Workflow
Created by: schines
Created at: 2020-11-10
On NodePit since: 2022-02-06
Last update: 2024-12-22
Created with KNIME version: v4.1.4

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