Author: 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
Title: ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules Document date: 2019_11_16
ID: 03uonbrv_59
Snippet: where D is the observed data. We use the terms prior probability, likelihood and posterior probability according to this Bayesian point of view. Let D(c) be the observed data for compound c ∈ C, that is, the isotope pattern and fragmentation pattern of c. We assume that the likelihoods of molecular formulas for dierent compounds are independent, and that the likelihood of any compound c only depends on its data D(c); so,.....
Document: where D is the observed data. We use the terms prior probability, likelihood and posterior probability according to this Bayesian point of view. Let D(c) be the observed data for compound c ∈ C, that is, the isotope pattern and fragmentation pattern of c. We assume that the likelihoods of molecular formulas for dierent compounds are independent, and that the likelihood of any compound c only depends on its data D(c); so,
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