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GitHub / RECETOX / ei_spectra_predictions
This repository contains the workflow and supporting information for "Quantum chemistry based prediction of electron ionization mass spectra for environmental chemicals".
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/RECETOX%2Fei_spectra_predictions
Stars: 0
Forks: 1
Open Issues: 3
License: mit
Language: Jupyter Notebook
Repo Size: 119 MB
Dependencies:
0
Created: over 1 year ago
Updated: 25 days ago
Last pushed: 25 days ago
Last synced: 25 days ago
Topics: exposomics, gc-ms, mass-spectormetry, metabolomics, qxcms
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