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Bayes Classification Model Building

SchrödingerCheminformaticsModeling
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Build a Bayes model from binary or continuous training data that can then be applied to other data sets. Both training set and testing set are required as input, these can be created using the Partitioning or Row Splitter KNIME nodes. The independent variable (X) can be either numerical or fingerprint data while the dependent variable (Y) can be categorical or numerical.

Backend implementation

$SCHRODINGER/utilities/canvasBayes
canvasBayes is used to implement this node.

Node details

Input ports
  1. Type: Table
    Training set variables
    Numerical data of the training set variables
  2. Type: Table
    Test set variables
    Numerical data of the test set variables (identical Variable columns as defined for the Training set)
  3. Type: Table
    Canvas FingerPrint for training set
    Canvas fingerprint for Training set (optional)
  4. Type: Table
    Canvas FingerPrint for test set
    Canvas fingerprint for Test set (optional)
Output ports
  1. Type: Table
    Bayes model
    Bayes model
  2. Type: Table
    Statistics
    Statistics for training set and number of correctly predicted values for training and test sets
  3. Type: Table
    Plot data
    Plot data showing observed and predicted classification values for Y for both the training and test sets.

Extension

The Bayes Classification Model Building node is part of this extension:

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Related workflows & nodes

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