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ADME

ADME in LiveDesign
ADME - in LiveDesign:ADME properties are calculated with QikProp. 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 LiveReportGenenrate 3D coordinates Only relevant columns for the LiveReport In my LiveDesign LiveDesign Save Workflow SDF Reader LigPrep QikProp Column Filter Upload modelto LiveDesign CASE SwitchData (Start) CredentialsConfiguration Testing ADME - in LiveDesign:ADME properties are calculated with QikProp. 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 LiveReportGenenrate 3D coordinates Only relevant columns for the LiveReport In my LiveDesign LiveDesign Save Workflow SDF Reader LigPrep QikProp Column Filter 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: LiveDesignQikPropLigPrep

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