Icon

02_​Bioactivity_​Prediction_​Transform

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

02_Bioactivity_Prediction_TransformThis workflow is the second one executed by the Model Factory. It removes artifacts and computes chemical fingerprints using RDKitcheminformatics 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 specificfor 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 Framework (Connection to Model Factory) Custom (Your custom nodes for this step) Output to Model Factory Processed Data ContainerInput (JSON) ContainerOutput (JSON) JSON to Table Table Rowto Variable Table Reader Table to JSON String Input FileName_creation Variable toTable Column Write non-emptytables only Clean Up Preprocess andCompute Features 02_Bioactivity_Prediction_TransformThis workflow is the second one executed by the Model Factory. It removes artifacts and computes chemical fingerprints using RDKitcheminformatics 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 specificfor 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 Framework (Connection to Model Factory) Custom (Your custom nodes for this step) Output to Model Factory Processed Data ContainerInput (JSON) ContainerOutput (JSON) JSON to Table Table Rowto Variable Table Reader Table to JSON String Input FileName_creation Variable toTable Column Write non-emptytables only Clean Up Preprocess andCompute Features

Nodes

Extensions

Links

Download

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

Download Workflow
Created by: rb
Created at: 2017-01-11
On NodePit since: 2019-07-12
Last update: 2024-04-24
Created with KNIME version: v3.6.1

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!