SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information - Dührkop, Kai; Fleischauer, Markus; Ludwig, Marcus; Aksenov, Alexander A.; Melnik, Alexey V.; Meusel, Marvin; Dorrestein, Pieter C.; Rousu, Juho; Böcker, Sebastian (Nature methods, 2019)
Keywords: 631/114/794; 631/1647/296; 631/45/320; Algorithms; Analytical chemistry; Backup software; Bayes Theorem; Bioinformatics; Biological Microscopy; Biological Techniques; Biomarkers; Biomedical and Life Sciences; Biomedical Engineering/Biotechnology; Biotechnology; Brief Communication; Chemical research; Cluster Analysis; Computational biology; Computational Biology - methods; Computational chemistry; Computer applications; Computer Graphics; Databases, Factual; Electronic Data Processing; Infection; Internet; Isotopes; Life Sciences; Likelihood Functions; Mass spectra; Mass spectrometry; Mass spectroscopy; Medical research; Metabolites; Metabolome; Metabolomics; Metabolomics - methods; Metabonomic analysis; Methods; Molecular Structure; Neural Networks, Computer; Pharmaceutical biotechnology; Pharmacy; Programming Languages; Proteomics; Satellite radio; Signal Processing, Computer-Assisted; Spectroscopy; Structure (Literature); Tandem Mass Spectrometry - methods; User-Computer Interface; Germany