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MOE 01 - Combinatorial Library Management

in-housevendordrug-/leadlikefiltered outMolecule -> molmergeuniquesfrom vendorfrom vendorvendor: duplicates - order if out of stock?vendor:new compounds - too many to order all of themnormalizebinned VSAdescriptorbasedvendor > 0.9cps from new clusterspropertiesfrom vendormatched pairs< 0.7inhouse.mdbvendor.sdfConstantValue Column ConstantValue Column Molecule Filter InteractiveTable (local) Column Rename Concatenate Remove DuplicateMolecules Row Filter Row Filter InteractiveTable (local) InteractiveTable (local) Wash MOE Descriptors Clustering Cluster PopulationAnalysis Row Filter ReferenceRow Filter PDP Row Filter InteractiveTable (local) Most SimilarMolecule(s) Row Filter InteractiveTable (local) MDB Reader SDF Reader in-housevendordrug-/leadlikefiltered outMolecule -> molmergeuniquesfrom vendorfrom vendorvendor: duplicates - order if out of stock?vendor:new compounds - too many to order all of themnormalizebinned VSAdescriptorbasedvendor > 0.9cps from new clusterspropertiesfrom vendormatched pairs< 0.7inhouse.mdbvendor.sdfConstantValue Column ConstantValue Column Molecule Filter InteractiveTable (local) Column Rename Concatenate Remove DuplicateMolecules Row Filter Row Filter InteractiveTable (local) InteractiveTable (local) Wash MOE Descriptors Clustering Cluster PopulationAnalysis Row Filter ReferenceRow Filter PDP Row Filter InteractiveTable (local) Most SimilarMolecule(s) Row Filter InteractiveTable (local) MDB Reader SDF Reader

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Created by: guido
Created at: 2022-09-05
On NodePit since: 2022-09-15
Last update: 2024-04-28
Created with KNIME version: v4.6.1

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