MicrobeRX
cheminformatics
computational-biology
microbiome
drug-design
metabolic-models
gut-microbiome
enzymes
metabolite-identification
metabolite-prediction
metabolite
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Updated
Jul 9, 2024 - Python
MicrobeRX
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.
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