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Easy workflow to calculate descriptors on the webportal

Webportal - Compound Exploration

Webportal - Compound Exploration

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If no selection is made, the results table will be emptyGeneric File Upload RDKit DescriptorCalculation Color Manager Select molecular propertiesto be calculated Molecule Type Cast Investigate propertiesand select compounds CSV Writer Create Temp Folder Download theresults If no selection is made, the results table will be emptyGeneric File Upload RDKit DescriptorCalculation Color Manager Select molecular propertiesto be calculated Molecule Type Cast Investigate propertiesand select compounds CSV Writer Create Temp Folder Download theresults

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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: janinamothes
Created at: 2020-08-03
On NodePit since: 2021-11-10
Last update: 2024-04-27
Created with KNIME version: v4.4.2

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