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.

WorkflowModel Optimization and Selection

KNIME Base Chemistry Types & Nodes Trusted extension

KNIME Core Trusted extension

KNIME Ensemble Learning Wrappers Trusted extension

KNIME H2O Machine Learning Integration Trusted extension

KNIME JavaScript Views Trusted extension

KNIME Math Expression (JEP) Trusted extension

KNIME Optimization extension Trusted extension

KNIME Quick Forms Trusted extension

Discussion

Model Optimization and Selection

KNIME Base Chemistry Types & Nodes

KNIME Core

KNIME Ensemble Learning Wrappers

KNIME H2O Machine Learning Integration

KNIME JavaScript Views

KNIME Math Expression (JEP)

KNIME Optimization extension

KNIME Quick Forms