I have developed the machine learning models using the workflow, “ML prototyping bioactivity data”. I do not know how to use these models to screen the database of untested compounds. I appreciate the suggestions.
Usually one would save the selected model using e.g. the Model Writer node. Then you would use this model for predictions. Here is a simple workflow describing it.
In a more advanced scenario, you could automatically generate the Predictor workflow with the selected model using the Integrated Deployment in KNIME. Find out more about it in this blog by Janina
I hope it helps.
Thanks for your reply. I will try this.
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