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
To use this workflow in KNIME, download it from the below URL and open it in KNIME:
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