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.
Used extensions & nodes
Created with KNIME Analytics Platform version 4.5.0
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