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Webportal - Compound Exploration

If run on the Webportal, this workflow is a simple interactive web app helping to explore potential compounds. First, the expert selects the molecular properties, which should be calculated. Second, the expert selects the compounds of interest. Third, the expert defines the name of the Excel file and which columns should be included in the Excel file. Last, the expert can download the created Excel file.

Drug Discovery WorkflowIf run on the Webportal, this workflow is a simple interactive web app helping to explore compounds. View 2: Consumerselects the molecularproperties, whichshould be calculated. View 3: Consumer selectsthe compounds of interest. View 4: Consumerdefines the name of theExcel file and select thecolumns. View 5: Consumercan download thecreated Excel file. View 1: Consumeruploads a filecontaing moleculestrctures, EC50 andfluorescence data. Interactive View for Data ExplorationDefine file name and select columns Generic File Upload RDKit From Molecule Renderer to Image RDKit DescriptorCalculation Select Compounds Select MolecularProperties Select File Entries Download File Excel Writer (XLS)(deprecated) Drug Discovery WorkflowIf run on the Webportal, this workflow is a simple interactive web app helping to explore compounds. View 2: Consumerselects the molecularproperties, whichshould be calculated. View 3: Consumer selectsthe compounds of interest. View 4: Consumerdefines the name of theExcel file and select thecolumns. View 5: Consumercan download thecreated Excel file. View 1: Consumeruploads a filecontaing moleculestrctures, EC50 andfluorescence data. Interactive View for Data ExplorationDefine file name and select columns Generic File Upload RDKit From Molecule Renderer to Image RDKit DescriptorCalculation Select Compounds Select MolecularProperties Select File Entries Download File Excel Writer (XLS)(deprecated)

Nodes

Extensions

Links

Download

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

Download Workflow
Created by: janinamothes
Created at: 2020-08-03
On NodePit since: 2021-11-26
Last update: 2026-01-08
Created with KNIME version: v4.4.2
Tags: web app

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