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_24
Snippet: Searching an unknown compound with novel molecular formula in a structure database will always result in an incorrect hit, and this will often go unnoticed. In contrast, a metabolite identication workow which makes use of de novo annotation methods facilitates the identication . 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 It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the .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://do.....
Document: Searching an unknown compound with novel molecular formula in a structure database will always result in an incorrect hit, and this will often go unnoticed. In contrast, a metabolite identication workow which makes use of de novo annotation methods facilitates the identication . 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 It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the .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 of highly interesting, new metabolites. Here, ZODIAC constitutes a major step in the discovery and structural elucidation of novel metabolites, natural products, and other molecules of biological interest.
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