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Fingerprint Bayesian Predictor

ChemistryMining
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Predictor node to the Fingerprint Bayesian Learner node, assigning score values to test data. The input data needs to contain fingerprint descriptors as used in the corresponding learner. It computes a score for each input record by summing up the log values that are associated with the fingerprint on-bits ( sum-of-logs ). This corresponds to equation (6) in

Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases , Nidhi Meir Glick, John W. Davies, and Jeremy L. Jenkins, J. Chem. Inf. Model. , 2006, 46 (3), pp 1124–1133

This score represents the confidence of a record to belong to the same category as the target category (the attribute value that was selected in the Learner node). Additionally, the node allows the user to append a crisp class prediction. This prediction is done by comparing the computed score to a threshold, whereby the threshold can be either be fixed or a value derived from the model. Details are described below.

Node details

Input ports
  1. Type: Fingerprint Bayes
    Fingerprint Bayesian Model
    The fingerprint model (output of the "Fingerprint Bayesian Learner").
  2. Type: Table
    Input data with fingerprint column
    The data to predict.
Output ports
  1. Type: Table
    Predicted data
    The input data with class prediction appended.

Extension

The Fingerprint Bayesian Predictor node is part of this extension:

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Related workflows & nodes

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