Bioactivity Prediction using ML

Workflow

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The objective of this workflow is to predict the biological activity of molecules related to a particular disease using Machine Learning models and the best optimized model can be used further to predict the bioactivity of molecules associated with several other diseases.

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Bioactivity Prediction using ML

KNIME Base Chemistry Types & Nodes

KNIME Base nodes

KNIME Ensemble Learning Wrappers

KNIME JavaScript Views

KNIME JavaScript Views (Labs)

KNIME Javasnippet

KNIME Machine Learning Interpretability Extension

KNIME Math Expression (JEP)

KNIME Quick Forms

KNIME XGBoost Integration

RDKit Nodes Feature

Legal

Bioactivity Prediction using ML

Used extensions & nodes

KNIME Base Chemistry Types & NodesTrusted extension

KNIME Base nodesTrusted extension

KNIME Ensemble Learning WrappersTrusted extension

KNIME JavaScript ViewsTrusted extension

KNIME JavaScript Views (Labs)Trusted extension

KNIME JavasnippetTrusted extension

KNIME Machine Learning Interpretability ExtensionTrusted extension

KNIME Math Expression (JEP)Trusted extension

KNIME Quick FormsTrusted extension

KNIME XGBoost IntegrationTrusted extension

RDKit Nodes FeatureTrusted extension

Legal

KNIME Base Chemistry Types & Nodes

KNIME Base nodes

KNIME Ensemble Learning Wrappers

KNIME JavaScript Views

KNIME JavaScript Views (Labs)

KNIME Javasnippet

KNIME Machine Learning Interpretability Extension

KNIME Math Expression (JEP)

KNIME Quick Forms

KNIME XGBoost Integration

RDKit Nodes Feature