Database-independent molecular formula annotation using Gibbs sampling through ZODIAC

Marcus Ludwig, Louis-Félix Nothias, Kai Dührkop, Irina Koester, Markus Fleischauer, Martin A. Hoffmann, Daniel Petras, Fernando Vargas, Mustafa Morsy, Lihini Aluwihare, Pieter C. Dorrestein, Sebastian Böcker. Database-independent molecular formula annotation using Gibbs sampling through ZODIAC. Nat. Mach. Intell., 2(10):629-641, 2020. [doi]

Abstract

Abstract is missing.