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Simple workflow - to be prepared to be run in LiveDesign

ADME - to be run in LiveDesign

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

Generate 3D coordinates StructuresPropertiesInput structuresLigPrep QikProp Molecule Writer(from MAE) CSV Writer Molecule Reader(to MAE) Generate 3D coordinates StructuresPropertiesInput structuresLigPrep QikProp Molecule Writer(from MAE) CSV Writer Molecule Reader(to MAE)

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Extensions

Links

Download

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: 2024-05-02
Created with KNIME version: v4.1.1
Tags: LiveDesignQikPropLigPrep

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