MAW - The Reproducible Metabolome Annotation Workflow for Untargeted Tandem Mass Spectrometry
Mahnoor Zulfiqar, Luiz M. R. Gadelha Jr., Christoph Steinbeck, Maria Sorokina, Kristian Peters
MAW automates metabolome annotation using LC-MS2 data by integrating spectral databases and tools, improving candidate ranking and reproducibility.
Journal of Cheminformatics · Mar 4, 2023Peer-reviewedBioinformatics