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.
This is a companion discussion topic for the original entry at https://kni.me/w/NRkgk2AjJLpOPLHQ