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canSARchem

Insert file/s path Canonical Representatives Standard Compounds Unsalted CanonicalRepresentatives Abstract compounds Filter Empty Mol BlockParse SDFNode 1279Node 1280Path of sdf.gz filesSanitasationNode 1283KekulizeNode 1286Node 1287Node 1288Create Folders and File Paths RDKit SubstructureFilter Canonical_Representatives SDF Reader Abstract_compounds Loop End List Files(deprecated) RDKit From Molecule Cache Dearomatizer Table Row To VariableLoop Start (deprecated) Errors_No_Structures Standardization Salt_Strip Standard_Compounds Java Edit Variable Insert file/s path Canonical Representatives Standard Compounds Unsalted CanonicalRepresentatives Abstract compounds Filter Empty Mol BlockParse SDFNode 1279Node 1280Path of sdf.gz filesSanitasationNode 1283KekulizeNode 1286Node 1287Node 1288Create Folders and File Paths RDKit SubstructureFilter Canonical_Representatives SDF Reader Abstract_compounds Loop End List Files(deprecated) RDKit From Molecule Cache Dearomatizer Table Row To VariableLoop Start (deprecated) Errors_No_Structures Standardization Salt_Strip Standard_Compounds Java Edit Variable

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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: ddolciami
Created at: 2021-04-12
On NodePit since: 2022-03-22
Last update: 2024-12-21
Created with KNIME version: v4.5.1

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