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Simple workflow - ready to be deployed to LiveDesign

ADME - to be run in LiveDesign

Calculates ADME properties with QikProp.
The workflow is uploaded as Computational model to LiveDesign.

Before uploadingCompound structures from the LiveReport%file%Generate 3D coordinates Only relevant columns for the LiveReportLiveDesignNew LiveReport column(s):- a selection of Qikprop propertiesSave Workflow SDF Reader LigPrep QikProp Column Filter CredentialsConfiguration Upload asLiveDesign Model Before uploadingCompound structures from the LiveReport%file%Generate 3D coordinates Only relevant columns for the LiveReportLiveDesignNew LiveReport column(s):- a selection of Qikprop propertiesSave Workflow SDF Reader LigPrep QikProp Column Filter CredentialsConfiguration Upload asLiveDesign Model

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

Download Workflow
Created by: jcmozzic
Created at: 2020-01-31
On NodePit since: 2020-08-22
Last update: 2024-04-28
Created with KNIME version: v4.1.1
Tags: LiveDesignQikPropLigPrep

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