Selected article for: "molecular formula and ZODIAC score"
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_21
    Snippet: We have presented ZODIAC, a Gibbs sampling-based approach for assigning molecular formulas in biological samples analyzed by LC-MS/MS. Using ZODIAC, we observed substantial improvements of correct molecular formula annotations, in particular for large compounds; error rates decrease . CC-BY-NC-ND 4.0 International license author/funder. It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the up to .....
    Document: We have presented ZODIAC, a Gibbs sampling-based approach for assigning molecular formulas in biological samples analyzed by LC-MS/MS. Using ZODIAC, we observed substantial improvements of correct molecular formula annotations, in particular for large compounds; error rates decrease . CC-BY-NC-ND 4.0 International license author/funder. It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the up to 16-fold. Furthermore, the ZODIAC score allows to select the most condent annotations.

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