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canSARchem_​RDKit

Unsalted CanonicalRepresentatives Standard Compounds Abstract compounds Canonical Representatives Insert file/s path Node 2654Node 2656KekulizeFilter Empty Mol BlockSanitasationNode 2662Node 2663Create Folders and File PathsNode 2665Node 2666Path of sdf.gz filesParse SDF Abstract_compounds_Indigo Canonical_Representatives_RDKit Salt_Strip_RDKit Dearomatizer Table Row To VariableLoop Start (deprecated) Standard_Compounds RDKit SubstructureFilter RDKit From Molecule Cache Loop End Java Edit Variable Errors_No_Structures Standardization List Files(deprecated) SDF Reader Unsalted CanonicalRepresentatives Standard Compounds Abstract compounds Canonical Representatives Insert file/s path Node 2654Node 2656KekulizeFilter Empty Mol BlockSanitasationNode 2662Node 2663Create Folders and File PathsNode 2665Node 2666Path of sdf.gz filesParse SDF Abstract_compounds_Indigo Canonical_Representatives_RDKit Salt_Strip_RDKit Dearomatizer Table Row To VariableLoop Start (deprecated) Standard_Compounds RDKit SubstructureFilter RDKit From Molecule Cache Loop End Java Edit Variable Errors_No_Structures Standardization List Files(deprecated) SDF Reader

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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: danie
Created at: 2022-03-10
On NodePit since: 2022-03-22
Last update: 2024-12-21
Created with KNIME version: v4.5.1

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