TeachOpenCADD Workflow 1: Data acquisition from ChEMBL
Information on compound structure, bioactivity, and associated targets are organized in databases such as ChEMBL, PubChem, or DrugBank.
This workflow shows how to obtain and preprocess data for a query target (default target: EGFR) from the ChEMBL web services.
Workflow
TeachOpenCADD_Workflow1_Data_acquisition_ChEMBL
Used extensions & nodes
Created with KNIME Analytics Platform version 5.2.1
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Version 5.2.1
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KNIME AG, Zurich, Switzerland
Version 5.2.1
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KNIME AG, Zurich, Switzerland
Version 5.2.0
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KNIME AG, Zurich, Switzerland
Version 5.2.0
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KNIME AG, Zurich, Switzerland
Version 5.2.0
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KNIME AG, Zurich, Switzerland
Version 5.2.1
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KNIME AG, Zurich, Switzerland
Version 5.2.1
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