This workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementation the choice of features and one hyperparameter per method are being optimized.
The dataset represents a subset of 844 compounds evaluated for activity against CDPK1. More information on the set is available https://www.ebi.ac.uk/chemblntd/#tcams_dataset. See Set 19.
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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License (CC-BY-4.0)