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Ligand CNS desirability plot

Ligand CNS desirability radar plot

Generates radar plots for the CNS desirability MPO properties.

21.2.0
See more details on https://kni.me/w/nn2lslpXDAMCcj6Y

This workflow is uploaded as Computational model when executing the Upload model to LiveDesign node. The KNIME workflow can then be run in LiveDesign on the LiveReport structures. The output column(s) will be added to the LiveReport. Changelog:22.4.0 - Automatic protocol selection and installation21.2.0 - Running on 1 CPU Input: Compound structures in the LiveReportOutput column(s) in the LiveReport:- CNS desirability score- Radar plot image Compound structure input protocolSame as in theLigand DesignerNew LiveReport column(s) Testing compoundLiveDesignpngDisabledCommandOutput Compound structure input protocol python script Upload asLiveDesign Model Property selection Column Filter Radar Plot Appender SDF Reader CredentialsConfiguration Renderer to Image Testing Table Viewer Table Viewer Test locally locally theLiveDesign KNIME model Upload asLiveDesign Protocol CASE Switch Start LiveDesign Input LiveDesign MPO This workflow is uploaded as Computational model when executing the Upload model to LiveDesign node. The KNIME workflow can then be run in LiveDesign on the LiveReport structures. The output column(s) will be added to the LiveReport. Changelog:22.4.0 - Automatic protocol selection and installation21.2.0 - Running on 1 CPU Input: Compound structures in the LiveReportOutput column(s) in the LiveReport:- CNS desirability score- Radar plot image Compound structure input protocolSame as in theLigand DesignerNew LiveReport column(s) Testing compoundLiveDesignpngDisabledCommandOutput Compound structure input protocol python scriptUpload asLiveDesign Model Property selection Column Filter Radar Plot Appender SDF Reader CredentialsConfiguration Renderer to Image Testing Table Viewer Table Viewer Test locally locally theLiveDesign KNIME model Upload asLiveDesign Protocol CASE Switch Start LiveDesign Input LiveDesign MPO

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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: 2020-08-12
Last update: 2024-09-16
Created with KNIME version: v4.6.1
Tags: LiveDesignLigPrepSchrodinger

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