This workflow is the second one executed by the Model Factory. It removes artifacts and computes chemical fingerprints using RDKit cheminformatics library (http://www.rdkit.org).
Input: The input of the node contains the path to the file as loaded by the load workflow ("filePath") along with additional parameters specific for a data set (e.g. assay_id)
Output: Include the path to the file for the test data set (filePath_Test) and the Training Data Set ("filePath_Train").
This workflow is part of the model factory eco system. Please refer to our blogpost for further details
Used extensions & nodes
Created with KNIME Analytics Platform version 3.6.1
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Loading deployments
Loading ad hoc jobs
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