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View disparity matrix and hierarchical clustering in 3D using Activity Miner

Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. View the similarity and disparity matrix for a set of moleculesMolecules with activity data,SDF tags have been extractedto columnsView the heat map of the disparity matrixCluster the moleculesView the clustered moleculesView the heat map of the similarity matrixGenerate the disparity matrixGenerate the distance matrixGenerate the similarity matrixView the disparity matrix with Activity MinerSDF Reader MISSINGSimilarity Viewer Hierarchical Clustering(DistMatrix) HierarchicalCluster View MISSINGSimilarity Viewer Activity Miner Activity Miner Activity Miner Forge ProjectViewer Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. View the similarity and disparity matrix for a set of moleculesMolecules with activity data,SDF tags have been extractedto columnsView the heat map of the disparity matrixCluster the moleculesView the clustered moleculesView the heat map of the similarity matrixGenerate the disparity matrixGenerate the distance matrixGenerate the similarity matrixView the disparity matrix with Activity MinerSDF Reader MISSINGSimilarity Viewer Hierarchical Clustering(DistMatrix) HierarchicalCluster View MISSINGSimilarity Viewer Activity Miner Activity Miner Activity Miner Forge ProjectViewer

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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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On NodePit since: 2019-04-26
Last update: 2022-07-28
Created with KNIME version: v3.1.3

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