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bio-metabolomics-metabolite-annotation

maintained by GPTomics

star 300 account_tree 51 verified_user MIT License
bolt View GitHub
Overview Implementation Examples History

Metabolite identification from m/z and retention time. Covers database matching, MS/MS spectral matching, and confidence level assignment. Use when assigning compound identities to detected features in untargeted metabolomics.

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Skill Details

GitHub Stars 300
GitHub Forks 51
Created Jan 2026
Last Updated 5个月前
business business computational chemistry

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