BioinformaticsNature Machine IntelligencePeer-reviewed
ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules
Marcus Ludwig, Louis-Félix Nothias-Scaglia, Kai Dührkop…·Sebastian Böcker
ZODIAC improves molecular formula annotation in metabolomics by combining SIRIUS results with Gibbs sampling, reducing errors and discovering novel compounds.
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