Web Application for Bioactivity Prediction

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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.

Nodes

• Component Input5 ×
• Component Output5 ×
• Table View (JavaScript)3 ×
• Color Manager2 ×
• File Download Widget2 ×
• Show all 29 nodes

Extensions

• FeatureKNIME Base Chemistry Types & Nodes
• FeatureKNIME Base nodes
• FeatureKNIME Excel Support
• FeatureKNIME JavaScript Views
• FeatureKNIME JavaScript Views (Labs)
• Show all 10 modules

Links

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