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Bioisoster replacement

Bioisoster enumeration

Functional groups are replaced with bioisosteres that are available in the literature.

[Requires: Maestro]

Bioisoster enumeration:Functional groups are replaced with bioisosteres that are available in the literature.[Requires: Maestro] No transformationfoundBioisoster replacements Extra options2DBioisoster replacementsHelp %file% Mutable regionQuotes around Bioisoster variableSpecific transformation filePhenyl IsostereIsostere tagsExtra optionsExtra options-lBioisostereReplacement Molecule Reader(to MAE) Table Viewer Run Maestro Post processing Get Help MAE-to-Smiles Table Viewer Table Viewer MacroModelMinimization Molecule Writer(from MAE) BioisostereReplacement StringConfiguration String Manipulation(Variable) String Manipulation(Variable) String Manipulation(Variable) Table Viewer Get Help Get Help Table Viewer Bioisoster enumeration:Functional groups are replaced with bioisosteres that are available in the literature.[Requires: Maestro] No transformationfoundBioisoster replacements Extra options2DBioisoster replacementsHelp %file% Mutable regionQuotes around Bioisoster variableSpecific transformation filePhenyl IsostereIsostere tagsExtra optionsExtra options-lBioisostereReplacement Molecule Reader(to MAE) Table Viewer Run Maestro Post processing Get Help MAE-to-Smiles Table Viewer Table Viewer MacroModelMinimization Molecule Writer(from MAE) BioisostereReplacement StringConfiguration String Manipulation(Variable) String Manipulation(Variable) String Manipulation(Variable) Table Viewer Get Help Get Help Table Viewer

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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: jcmozzic
Created at: 2017-12-12
On NodePit since: 2020-08-12
Last update: 2024-11-18
Created with KNIME version: v4.6.1
Tags: Library DesignMaestro

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