Model Optimization and Selection

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

Extensions Nodes

Created with KNIME Analytics Platform version 4.1.0

KNIME Base Chemistry Types & Nodes

KNIME AG, Zurich, Switzerland

Version 4.1.0
KNIME Core

KNIME AG, Zurich, Switzerland

Version 4.1.0
KNIME Ensemble Learning Wrappers

KNIME AG, Zurich, Switzerland

Version 4.1.0
KNIME H2O Machine Learning Integration

KNIME AG, Zurich, Switzerland

Version 4.1.0
KNIME JavaScript Views

KNIME AG, Zurich, Switzerland

Version 4.1.0
KNIME Math Expression (JEP)

KNIME AG, Zurich, Switzerland

Version 4.1.0
KNIME Optimization extension

KNIME AG, Zurich, Switzerland

Version 4.1.0
KNIME Quick Forms

KNIME AG, Zurich, Switzerland

Version 4.1.0

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