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Advanced Machine Learning - Chemistry

Machine learningData miningClassificationPredictionModel evaluation
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Jan 31, 2023 1:18 PM
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"Advanced Machine Learning Chemistry" exercise for the advanced Life Science User Training - Training a Random Forest model to predict a nominal target column - Evaluating the performance of a classification model - Optimizing parameters of the Random Forest model - Performing the classification multiple times in a cross validation loop

External resources

  • Parameter Optimization for Prediction Models
  • Random Forest
  • Slides for KNIME Analytics Platform Course (L2-LS)
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Used extensions & nodes

Created with KNIME Analytics Platform version 4.6.1
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    KNIME Base nodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Versions 4.3.0, 4.6.1

    knime
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    KNIME Ensemble Learning WrappersTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
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    KNIME JavaScript Views (Labs)Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.0

    knime
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    RDKit Nodes FeatureTrusted extension

    NIBR

    Version 4.5.0

    manuelschwarze

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