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Reaction Enumeration ands Prioritization

Filter out specific substructures from the products Read building blocks in Preprocess the structures Filter bulding blocks for the reaction Specify reaction Explore the products interactively Save selected products Reaction Enumeration and Prioritization Zinc DBcarboxylic acid = 1aromaticamineMW < 200MW < 200 Molecular Sketcher ConstantValue Column ConstantValue Column Column Resorter File Reader(Complex Format) Visualize molecularproperties Concatenate RDKit DescriptorCalculation Excel Writer RDKit Moleculeto SVG Column Rename RDKit FunctionalGroup Filter RDKit FunctionalGroup Filter RDKit Two ComponentReaction RDKit DescriptorCalculation RDKit DescriptorCalculation RDKit MoleculeSubstructure Filter Row Filter Row Filter Standardize Clean up products Filter out specific substructures from the products Read building blocks in Preprocess the structures Filter bulding blocks for the reaction Specify reaction Explore the products interactively Save selected products Reaction Enumeration and Prioritization Zinc DBcarboxylic acid = 1aromaticamineMW < 200MW < 200 Molecular Sketcher ConstantValue Column ConstantValue Column Column Resorter File Reader(Complex Format) Visualize molecularproperties Concatenate RDKit DescriptorCalculation Excel Writer RDKit Moleculeto SVG Column Rename RDKit FunctionalGroup Filter RDKit FunctionalGroup Filter RDKit Two ComponentReaction RDKit DescriptorCalculation RDKit DescriptorCalculation RDKit MoleculeSubstructure Filter Row Filter Row Filter Standardize Clean up products

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Created by: nsas
Created at: 2022-05-13
On NodePit since: 2022-06-11
Last update: 2024-11-23
Created with KNIME version: v4.5.2

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