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  • 08_Model_Optimization_and_Selection
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Model Optimization and Selection

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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
  • KNIME Base Chemistry Types & Nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

  • KNIME Core Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

  • KNIME Ensemble Learning Wrappers Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

  • KNIME H2O Machine Learning Integration Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

  • KNIME JavaScript Views Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

  • KNIME Math Expression (JEP) Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

  • KNIME Optimization extension Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

  • KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.0

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