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File Upload and Download

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.

File Upload and Download Interactive View for Data ExplorationINTERACTIONREQUIREDDefine file namewrite Excel file to temp foldercreate complete file path in temp foldercreate file downloadGet file path to the file that's to be uploadedRead in the file RDKit From Molecule Renderer to Image RDKit DescriptorCalculation Select Compounds Select MolecularProperties String Widget Excel Writer Create Temp Folder File DownloadWidget File Upload Widget Table Reader File Upload and Download Interactive View for Data ExplorationINTERACTIONREQUIREDDefine file namewrite Excel file to temp foldercreate complete file path in temp foldercreate file downloadGet file path to the file that's to be uploadedRead in the file RDKit From Molecule Renderer to Image RDKit DescriptorCalculation Select Compounds Select MolecularProperties String Widget Excel Writer Create Temp Folder File DownloadWidget File Upload Widget Table Reader

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