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Calculate Novelty for molecules against an Activity Atlas model using Forge Score

Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. Calculate Novelty for molecules against an Activity Atlas modelPredicted setSave molecules with the Novelty information Score the moleculesThe Activity Atlas model previously created using the Forge Build nodeSDF Reader SDF Writer Forge ScoreActivity Atlas Forge ProjectReader Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. Calculate Novelty for molecules against an Activity Atlas modelPredicted setSave molecules with the Novelty information Score the moleculesThe Activity Atlas model previously created using the Forge Build nodeSDF Reader SDF Writer Forge ScoreActivity Atlas Forge ProjectReader

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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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