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Web Application for Bioactivity Prediction

This workflow creates a small web application for bioactivity prediction.The data can be uploaded as a CSV file containing canonical smiles. The data is send to a workflow, where the bioactivity for each compound is predicted. Depending if the uploaded file contained the ground truth (activity column), a different interactive view is created. The results can be downloaded as a Excel file.

The called workflow is generated by the "Model Selection with Integrated Deployment" workflow.

Simple Web Application for WebportalThis workflow creates a small web application based that calls the deployed workflow generated by the "Model Selection withIntegrated Deployment" workflow to provide bioactivity predictions for uploaded compounds. Data InputFile Upload or drawmolecule Model Prediction Visualize results Download results Call the deployed workflow Renderer to Image Column Resorter Data Visualization Result Download Call Workflow(Table Based) Input Molecule Simple Web Application for WebportalThis workflow creates a small web application based that calls the deployed workflow generated by the "Model Selection withIntegrated Deployment" workflow to provide bioactivity predictions for uploaded compounds. Data InputFile Upload or drawmolecule Model Prediction Visualize results Download results Call the deployed workflow Renderer to Image Column Resorter Data Visualization Result Download Call Workflow(Table Based) Input Molecule

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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: janinamothes
Created at: 2020-08-03
On NodePit since: 2022-01-27
Last update: 2024-04-27
Created with KNIME version: v4.5.0
Tags: web appbioactivity predictionlife scienceinteractive visualizationchemistrycall workflowdownloadupload

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