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_114
Snippet: There may be more than one hypothetical compound in an LC-MS run being annotated with one molecular formula, potentially corresponding to dierent isomers. For such cases,`# comp.' is the number of hypothetical compounds being annotated with the given molecular formula, and`max score' is the maximum ZODIAC score among these annotations. The corresponding compounds are given in Supplementary Table dataset . CC-BY-NC-ND 4.0 International license a.....
Document: There may be more than one hypothetical compound in an LC-MS run being annotated with one molecular formula, potentially corresponding to dierent isomers. For such cases,`# comp.' is the number of hypothetical compounds being annotated with the given molecular formula, and`max score' is the maximum ZODIAC score among these annotations. The corresponding compounds are given in Supplementary Table dataset . 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 It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/842740 doi: bioRxiv preprint
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