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_100
Snippet: For the rst iteration, we use an arbitrary assignment, then compute all conditional probabilities using (9) . The method requires O(|V | + |E|) memory for storing the graph, and O(|V |) memory for storing (log) conditional probabilities. The probability of a particular molecular formula v to be correct, can now be estimated as its marginal probability: that is, the ratio of assignments in the output that contain v. The copyright holder for this p.....
Document: For the rst iteration, we use an arbitrary assignment, then compute all conditional probabilities using (9) . The method requires O(|V | + |E|) memory for storing the graph, and O(|V |) memory for storing (log) conditional probabilities. The probability of a particular molecular formula v to be correct, can now be estimated as its marginal probability: that is, the ratio of assignments in the output that contain v. The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/842740 doi: bioRxiv preprint
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