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Model Selection with Integrated Deployment (converted to v5.2)

This directory contains 3 workflows.

Icondeployed_​workflow 

IconModel Selection with Integrated Deployment 

This workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementation the choice of features […]

IconWeb 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 […]