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Evotec_​Covalent_​Processing_​forGold

library of compoundsneeds structure(Molecule column) and identifier (IDNUMBER)Define OUTPUT 2D SDFILEwith molname_knime as uniqueidentifier for each recordmol_knimeunique_cmpd_identifierstereo_indexwarheadAdd originalproperties using unique_compound_identifierLC_General_Covalent_Inhibitor_Libraryidentifier IDNUMBER columnNode 3927Embed DataInto Workflow SDF Reader SDF Writer GroupBy GroupBy Standardization Math Formula Substructural_Searches React_Molecules Get_QueryAtom Input_Variables Arrange Information GroupBy Joiner Table Reader Column Rename Partitioning library of compoundsneeds structure(Molecule column) and identifier (IDNUMBER)Define OUTPUT 2D SDFILEwith molname_knime as uniqueidentifier for each recordmol_knimeunique_cmpd_identifierstereo_indexwarheadAdd originalproperties using unique_compound_identifierLC_General_Covalent_Inhibitor_Libraryidentifier IDNUMBER columnNode 3927Embed DataInto Workflow SDF Reader SDF Writer GroupBy GroupBy Standardization Math Formula Substructural_Searches React_Molecules Get_QueryAtom Input_Variables Arrange Information GroupBy Joiner Table Reader Column Rename Partitioning

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Created by: animdaho
Created at: 2021-03-22
On NodePit since: 2022-02-18
Last update: 2024-11-23
Created with KNIME version: v4.2.4

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