PeakDecoder enables machine learning-based metabolite annotation and accurate profiling in multidimensional mass spectrometry measurements - Bilbao, Aivett; Munoz, Nathalie; Kim, Joonhoon; Orton, Daniel J.; Gao, Yuqian; Poorey, Kunal; Pomraning, Kyle R.; Weitz, Karl; Burnet, Meagan; Nicora, Carrie D.; Wilton, Rosemarie; Deng, Shuang; et al. (Nature communications, 2023)
Keywords: 49/47; 631/114/1305; 631/114/1314; 631/1647/296; 631/45/320; 82/16; 82/58; Algorithms; Annotations; BASIC BIOLOGICAL SCIENCES; Biological activity; Chemical reactions; Chromatography; Chromatography, Liquid - methods; Construction standards; Gas chromatography; Humanities and Social Sciences; Ion Mobility Spectrometry; Ionic mobility; Ions; Learning algorithms; Libraries; Liquid chromatography; Machine learning; Mass spectrometry; Mass Spectrometry - methods; Mass spectroscopy; Metabolites; Metabolomics; Metabolomics - methods; Microorganisms; Mobility; multidisciplinary; Pseudomonas putida; Science; Science (multidisciplinary); Scientific imaging; Sensitivity analysis; Workflow