metabolite

There are 0 repository under metabolite topic.

GRONINGEN-MICROBIOME-CENTRE / MicrobeRX
MicrobeRX
cheminformatics computational-biology drug-design enzymes gut-microbiome metabolic-models metabolite metabolite-identification metabolite-prediction microbiome
Language:Python 7
scannotation / Scannotation_software
Scannotation is an automated and user-friendly suspect screening tool for the rapid pre-annotation of LC-HRMS datasets. This software combines several MS1 chemical predictors: m/z, retention times, isotopic patterns and neutral loss patterns, to score the proximity between features and suspects, thus efficiently prioritizing compounds of interest.
annotations user-friendly suspect-screening hrms retention-times isotopic-patterns software scoring neutral-loss metabolite compound-identification exposome non-targeted-analysis
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GRONINGEN-MICROBIOME-CENTRE / MicrobeRX