Database-independent molecular formula annotation using Gibbs sampling through ZODIAC.
Marcus LudwigLouis-Félix NothiasKai DührkopIrina KoesterMarkus FleischauerMartin A. HoffmannDaniel PetrasFernando VargasMustafa MorsyLihini AluwiharePieter C. DorresteinSebastian BöckerPublished in: Nat. Mach. Intell. (2020)