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MOE 02 - Fragment Based Design

fixissuesextractligandselect subsetFormula, Composition and MassSpecfix ligandbond patternadjust protonationreceptor onlyextract ligandselect scaffoldnew compoundsFrameworks1RO61RO6_ligands.mdb1ioe.pdb2D linker (small)scaffrepl.ph4QuickPrep Complex Splitter Launch MOE Molecule Properties SHED BREED InteractiveTable (local) Fix Bond Orders Protonate3D Column Filter Complex Separator Atom Selector Scaffold Replacer Conformations Murcko Framework InteractiveTable (local) InteractiveTable (local) InteractiveTable (local) MedChem Transformer MOE Reader MDB Reader PDB Reader MDB Reader PharmacophoreReader fixissuesextractligandselect subsetFormula, Composition and MassSpecfix ligandbond patternadjust protonationreceptor onlyextract ligandselect scaffoldnew compoundsFrameworks1RO61RO6_ligands.mdb1ioe.pdb2D linker (small)scaffrepl.ph4QuickPrep Complex Splitter Launch MOE Molecule Properties SHED BREED InteractiveTable (local) Fix Bond Orders Protonate3D Column Filter Complex Separator Atom Selector Scaffold Replacer Conformations Murcko Framework InteractiveTable (local) InteractiveTable (local) InteractiveTable (local) MedChem Transformer MOE Reader MDB Reader PDB Reader MDB Reader PharmacophoreReader

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Created by: guido
Created at: 2022-09-06
On NodePit since: 2022-09-15
Last update: 2026-08-14
Created with KNIME version: v4.6.1

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