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Create an Activity Atlas model using Forge Build

Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. Create an Activity Atlas modelTraining set with activity data, SDF tags have been extractedto columnsSave the Activity Atlas modelSave the training set molecules with Novelty information View the Activity Atlas modelCreate the Activity Atlas modelSDF Reader Forge ProjectWriter SDF Writer Forge ProjectViewer Forge BuildActivity Atlas Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. Create an Activity Atlas modelTraining set with activity data, SDF tags have been extractedto columnsSave the Activity Atlas modelSave the training set molecules with Novelty information View the Activity Atlas modelCreate the Activity Atlas modelSDF Reader Forge ProjectWriter SDF Writer Forge ProjectViewer Forge BuildActivity Atlas

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Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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

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