Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

Untargeted mass spectrometry is employed to detect small molecules in complex biospecimens, generating data that are difficult to interpret. We developed Qemistree, a data exploration strategy based on the hierarchical organization of molecular fingerprints predicted from fragmentation spectra. Qemi...

पूर्ण विवरण

में बचाया:
ग्रंथसूची विवरण
में प्रकाशित:Nat Chem Biol
मुख्य लेखकों: Tripathi, Anupriya, Vázquez-Baeza, Yoshiki, Gauglitz, Julia M., Wang, Mingxun, Dührkop, Kai, Nothias-Esposito, Mélissa, Acharya, Deepa D., Ernst, Madeleine, van der Hooft, Justin J.J., Zhu, Qiyun, McDonald, Daniel, Brejnrod, Asker D., Gonzalez, Antonio, Handelsman, Jo, Fleischauer, Markus, Ludwig, Marcus, Böcker, Sebastian, Nothias, Louis-Félix, Knight, Rob, Dorrestein, Pieter C.
स्वरूप: Artigo
भाषा:Inglês
प्रकाशित: 2020
विषय:
Article
ऑनलाइन पहुंच:https://ncbi.nlm.nih.gov/pmc/articles/PMC8189545/
https://ncbi.nlm.nih.gov/pubmed/33199911
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41589-020-00677-3
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