home/categories/computational-chemistry/gptomics-bioskills-metabolomics-metabolite-annotation-skill-md
computational-chemistryresearch
bio-metabolomics-metabolite-annotation
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.
maintainer
GPTomics
Обновлено 2/13/2026
Звёзды
471
Форки
81
quick start
Installation and usage
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.
Установка
$ install --globalskills.sh
Использование
После установки вы можете использовать этот skill, выполнив следующую команду в терминале:
skills use bio-metabolomics-metabolite-annotation