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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 with Integrated Deployment" workflow to provide bioactivity predictions for uploaded compounds. Data Input Call deployed workflow for modelprediction Interactive visualization depending on presence of ground truth (activity column) read selected dataCall the deployed workflow Renderer to Image Column Resorter Data Visualization(Ground Truth) Data Visualization(no Ground Truth) CASE SwitchData (Start) CASE SwitchData (End) File Upload Check foractivity column Result Download Molecule Type Cast CSV Reader Call Workflow(Table Based) Simple Web Application for WebportalThis workflow creates a small web application based that calls the deployed workflow generated by the "Model Selection with Integrated Deployment" workflow to provide bioactivity predictions for uploaded compounds. Data Input Call deployed workflow for modelprediction Interactive visualization depending on presence of ground truth (activity column) read selected dataCall the deployed workflow Renderer to Image Column Resorter Data Visualization(Ground Truth) Data Visualization(no Ground Truth) CASE SwitchData (Start) CASE SwitchData (End) File Upload Check foractivity column Result Download Molecule Type Cast CSV Reader Call Workflow(Table Based)

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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: 2020-12-17
Last update: 2024-04-27
Created with KNIME version: v4.4.1
Tags: web appbioactivity predictionlife scienceinteractive visualizationchemistrycall workflowdownloadupload

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