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_52
Snippet: We evaluate SIRIUS and ZODIAC against these ground truth molecular formulas, but we stress that beside the molecules that were isolated in Euphorbia dendroides samples and correspond to level 1 of the Metabolomics Standard Initiative ranking system, not all of these are necessarily correct. In particular, we refrain from ranking these according to the Metabolomics Standard Initiative ranking system, where level 4 corresponds to an unequivocal mol.....
Document: We evaluate SIRIUS and ZODIAC against these ground truth molecular formulas, but we stress that beside the molecules that were isolated in Euphorbia dendroides samples and correspond to level 1 of the Metabolomics Standard Initiative ranking system, not all of these are necessarily correct. In particular, we refrain from ranking these according to the Metabolomics Standard Initiative ranking system, where level 4 corresponds to an unequivocal molecular formula. An evaluation is nevertheless meaningful because we expect only few errors on the molecular formula assignment level.
Search related documents:
Co phrase search for related documents- formula assignment and molecular formula: 1, 2, 3, 4
- formula assignment and zodiac sirius: 1
- ground truth and molecular formula: 1, 2, 3, 4
- ground truth and zodiac sirius: 1, 2, 3
- ground truth and zodiac sirius evaluate: 1
- molecular formula and zodiac sirius: 1, 2
Co phrase search for related documents, hyperlinks ordered by date