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Workflow_​Functional Groups

ConvertsSMILES-stringto SMILESCounts functionalgroups in moleculesConvertsSMILES-stringto SMILESGenerates molecule structues from SMILES (Functional groups)Generates moleculestructures from SMILES(from Test set)Node 143Node 144Molecule Type Cast RDKit SubstructureCounter Molecule Type Cast RDKit From Molecule RDKit From Molecule Table Creator Table Creator ConvertsSMILES-stringto SMILESCounts functionalgroups in moleculesConvertsSMILES-stringto SMILESGenerates molecule structues from SMILES (Functional groups)Generates moleculestructures from SMILES(from Test set)Node 143Node 144Molecule Type Cast RDKit SubstructureCounter Molecule Type Cast RDKit From Molecule RDKit From Molecule Table Creator Table Creator

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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: BRUGGBR2
Created at: 2022-04-29
On NodePit since: 2022-04-29
Last update: 2024-04-18
Created with KNIME version: v4.3.4

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