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BindingDB_​ClusteredData

Workflow using fingerprint similarity to cluster data and select compounds for reduced reference set.Makes table for use in FMCT batch workflowNode 910Node 912Node 1107Node 1108Node 1110Node 1113Read fingerprintdataNode 1216Node 1219Node 1220remove low and blank affinities Hierarchical Clustering(DistMatrix) HierarchicalCluster Assigner Group Loop Start Loop End GroupBy Table Writer Table Reader Column Filter Column Merger Distance MatrixCalculate Rule-basedRow Filter Workflow using fingerprint similarity to cluster data and select compounds for reduced reference set.Makes table for use in FMCT batch workflowNode 910Node 912Node 1107Node 1108Node 1110Node 1113Read fingerprintdataNode 1216Node 1219Node 1220remove low and blank affinitiesHierarchical Clustering(DistMatrix) HierarchicalCluster Assigner Group Loop Start Loop End GroupBy Table Writer Table Reader Column Filter Column Merger Distance MatrixCalculate Rule-basedRow Filter

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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: George
Created at: 2014-03-15
On NodePit since: 2019-07-12
Last update: 2024-04-26
Created with KNIME version: v3.7.1

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