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Similarity Search Between 2 Groups of Molecules II

Similarity Search Between 2 Groups of Molecules

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Group 1Group 2ECFP4ECFP4Matrix outputTanimoto scorefilterGroup 1Group 2ECFP4ECFP4MaximumoutputTanimoto scorefilterTanimoto1st NNECFP4 =Morgan4(1024 bits)ECFP4 =Morgan4(1024 bits)Set RowIDwith SmilesInformationSet RowIDwith SmilesInformationGatherExecution Timesfor all NodesTable Creator Table Creator Fingerprints Fingerprints FingerprintSimilarity Ungroup RowID String Manipulation Cell Splitter Table Manipulator Joiner (Labs) Row Filter Table Creator Table Creator Fingerprints Fingerprints FingerprintSimilarity Joiner (Labs) Row Filter RDKit FindMurcko Scaffolds RDKit FindMurcko Scaffolds RDKit FindMurcko Scaffolds RDKit FindMurcko Scaffolds Table Manipulator Similarity Search RDKit Fingerprint RDKit Fingerprint RowID Joiner (Labs) RowID Timer Info Group 1Group 2ECFP4ECFP4Matrix outputTanimoto scorefilterGroup 1Group 2ECFP4ECFP4MaximumoutputTanimoto scorefilterTanimoto1st NNECFP4 =Morgan4(1024 bits)ECFP4 =Morgan4(1024 bits)Set RowIDwith SmilesInformationSet RowIDwith SmilesInformationGatherExecution Timesfor all NodesTable Creator Table Creator Fingerprints Fingerprints FingerprintSimilarity Ungroup RowID String Manipulation Cell Splitter Table Manipulator Joiner (Labs) Row Filter Table Creator Table Creator Fingerprints Fingerprints FingerprintSimilarity Joiner (Labs) Row Filter RDKit FindMurcko Scaffolds RDKit FindMurcko Scaffolds RDKit FindMurcko Scaffolds RDKit FindMurcko Scaffolds Table Manipulator Similarity Search RDKit Fingerprint RDKit Fingerprint RowID Joiner (Labs) RowID Timer Info

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Created by: Loic
Created at: 2021-08-02
On NodePit since: 2022-02-06
Last update: 2024-12-22
Created with KNIME version: v4.3.4

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