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Published May 27, 2025 | Version v1
Model Open

formula-structure mapping of pubchem

Authors/Creators

  • Wang, Runzhong1 ORCID icon
  • 1. ROR icon Massachusetts Institute of Technology

Files

Files (6.2 GB)

Name Size
pubchem_formulae_inchikey.hdf5
md5:05df17777d3a2ee25179c994a2f8aff1
6.2 GB Download

Additional details

Software

Repository URL
https://github.com/coleygroup/ms-pred
74
Views
218
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Views

Total views

74 74
Downloads

Total downloads

218 218
Data volume

Total data volume

1.6 TB 1.6 TB

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External resources

Indexed in
  • OpenAIRE

Communities

Details

DOI
10.5281/zenodo.15529765
DOI Badge

DOI

10.5281/zenodo.15529765

Markdown

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.15529765.svg)](https://doi.org/10.5281/zenodo.15529765)

reStructuredText

.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.15529765.svg
  :target: https://doi.org/10.5281/zenodo.15529765

HTML

<a href="https://doi.org/10.5281/zenodo.15529765"><img src="https://zenodo.org/badge/DOI/10.5281/zenodo.15529765.svg" alt="DOI"></a>

Image URL

https://zenodo.org/badge/DOI/10.5281/zenodo.15529765.svg

Target URL

https://doi.org/10.5281/zenodo.15529765
Resource type
Model
Publisher
Zenodo

Rights

License
cc-by-4.0 icon Creative Commons Attribution 4.0 International
The Creative Commons Attribution license allows re-distribution and re-use of a licensed work on the condition that the creator is appropriately credited. Read more

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Technical metadata

Created
May 27, 2025
Modified
May 27, 2025

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