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Chemining
Chemining is an automated and user-friendly tool to retrieve user-selected data from PubChem and ChEBI. From only compounds name (SMILES and molecular formula optional) checked by Chemining, identifiers, physical-chemical parameters and ontology data are extracted and delivered in Excel format.

Click on the following link to download the installation file "Chemining_2.0.1-setup.exe".

Note: This new setup is now compatible with "ChEBI 2.0", the updated version of ChEBI released on October 8, 2025.

For more information, view the video tutorial on YouTube or by downloading the file "Chemining-tutorial.zip".

Note: The tutorial was created for Chemining version 1.0.3, but the usage remains the same for the current version.
The video is fast, so do not hesitate to pause it with the space bar or use a slower pace to read it.

Development

Chemining was developed in Python 3.9 on Windows 10.

Tutorial

To get started with Chemining, you can view the tutorial:

  • either on YouTube directly
  • or if you want to browse the video using the table of contents (recommended):

    tutorial_summary

    ➪ Please download the file "Chemining-tutorial.zip" and launch in your web browser the file "Chemining-tutorial_player.html" present in the zip file.

Note: The tutorial was created for Chemining version 1.0.3, but the usage remains the same for the current version.
The video is fast, so do not hesitate to pause it with the space bar or use a slower pace to read it.

Help and Technical support

If you encounter any problems, please contact the developers at this address: scannotation@ehesp.fr or post your issue on this GitHub repository based on the file "Issue_template.md".