Hub
WorkflowWorkflow

Extract SMILES or other data from ChEMBL

Giribio Nyroindia Chembl Smiles Data
+3

Last edited: 

Drag & drop
Like
Download workflow
Copy short link
Workflow preview
Pull any data (SMILES, Activity, Assay, others from ChEMBL via API GET services) Input: CSV or List of ChEMBL ID (Target or Molecule or Assay) and others. Output: Table or SDF or other chemcial formats based on your string extraction from JSON Options: Ref: https://www.ebi.ac.uk/chembl/api/data/docs for more string manipulation query from ChEMBL Generate a issue query in GitHub if you have any queries.

Used extensions & nodes

Created with KNIME Analytics Platform version 4.3.4
  • ChemAxon/Infocom Marvin Extensions Feature Trusted extension

    Infocom Corporation

    Version 4.3.0

    infocom
  • KNIME Base Chemistry Types & Nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

    knime
  • KNIME Base nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Versions 4.3.3, 4.3.4

    knime
  • KNIME JavaScript Views Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.3

    knime
  • KNIME Javasnippet Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

    knime
  • KNIME JSON-Processing Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

    knime
  • KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.3

    knime
  • KNIME REST Client Extension Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

    knime
Discussion