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Random forest

Random forest in LiveDesign
Random forest in LiveDesign:Property prediction with a Random forest QSAR model.The workflow is exported as Computational model in LiveDesign.[Requires: LiveDesign, LigPrep, Qikprop]This workflow is exported as Computational model when executing the Upload model to LiveDesign node. The KNIME workflow is run from LiveDesign on the compound structures. The selected column(s) will be added to the LiveReport.Before exportingto LiveDesign%file%Compound structure column (2D) fromthe LiveReport%file%Embedded model Only relevant columns for the LiveReportGenerate 3D coordinatesAs descriptors In my LiveDesign LiveDesign Save Workflow SDF Reader Model Reader Random Forest Predictor(Regression) QikProp Column Filter LigPrep Extract Properties Upload modelto LiveDesign CASE SwitchData (Start) CredentialsConfiguration Testing Random forest in LiveDesign:Property prediction with a Random forest QSAR model.The workflow is exported as Computational model in LiveDesign.[Requires: LiveDesign, LigPrep, Qikprop]This workflow is exported as Computational model when executing the Upload model to LiveDesign node. The KNIME workflow is run from LiveDesign on the compound structures. The selected column(s) will be added to the LiveReport.Before exportingto LiveDesign%file%Compound structure column (2D) fromthe LiveReport%file%Embedded model Only relevant columns for the LiveReportGenerate 3D coordinatesAs descriptors In my LiveDesign LiveDesign Save Workflow SDF Reader Model Reader Random Forest Predictor(Regression) QikProp Column Filter LigPrep Extract Properties Upload modelto LiveDesign CASE SwitchData (Start) CredentialsConfiguration Testing

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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: jcmozzic
Created at: 2020-01-31
On NodePit since: 2020-02-17
Last update: 2020-02-26
Created with KNIME version: v4.1.0
Tags: LiveDesignLigPrepQikProp

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