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Calculate predicted activities for molecules against a 3D QSAR model using Forge Score

Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. Calculate predicted activities for molecules against a 3DQSAR modelPredicted setSave molecules with the predicted activity Score the moleculesThe QSAR model createdusing the Forge Build nodeSDF Reader SDF Writer Forge ScoreField QSAR Forge ProjectReader Input data - All molecules need to bepre-aligned. The Forge Align node can be used toalign the molecules. Calculate predicted activities for molecules against a 3DQSAR modelPredicted setSave molecules with the predicted activity Score the moleculesThe QSAR model createdusing the Forge Build nodeSDF Reader SDF Writer Forge ScoreField QSAR 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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