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A supervised fingerprint-based strategy to connect natural product mass spectrometry fragmentation data to their biosynthetic gene clusters
View ORCID ProfileTiago F. Leao, View ORCID ProfileMingxun Wang, View ORCID ProfileRicardo da Silva, View ORCID ProfileJustin J.J. van der Hooft, View ORCID ProfileAnelize Bauermeister, View ORCID ProfileAsker Brejnrod, View ORCID ProfileEvgenia Glukhov, View ORCID ProfileLena Gerwick, View ORCID ProfileWilliam H. Gerwick, View ORCID ProfileNuno Bandeira, View ORCID ProfilePieter C. Dorrestein
doi: https://doi.org/10.1101/2021.10.05.463235
Tiago F. Leao
1Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, USA
Mingxun Wang
1Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, USA
2Center for Computational Mass Spectrometry, University of California San Diego, La Jolla, California, USA
Ricardo da Silva
3NPPNS, Physic and Chemistry Department, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, Brazil
Justin J.J. van der Hooft
4Bioinformatics Group, Wageningen University, Wageningen, the Netherlands
Anelize Bauermeister
1Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, USA
Asker Brejnrod
1Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, USA
Evgenia Glukhov
5Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California San Diego, La Jolla, California, USA
Lena Gerwick
5Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California San Diego, La Jolla, California, USA
William H. Gerwick
1Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, USA
5Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California San Diego, La Jolla, California, USA
Nuno Bandeira
1Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, USA
2Center for Computational Mass Spectrometry, University of California San Diego, La Jolla, California, USA
Pieter C. Dorrestein
1Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, USA
6Center for Microbiome Innovation, University of California San Diego, La Jolla, California, USA
7Departments of Pharmacology and Pediatrics, University of California San Diego, La Jolla, California, USA
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Posted October 06, 2021.
A supervised fingerprint-based strategy to connect natural product mass spectrometry fragmentation data to their biosynthetic gene clusters
Tiago F. Leao, Mingxun Wang, Ricardo da Silva, Justin J.J. van der Hooft, Anelize Bauermeister, Asker Brejnrod, Evgenia Glukhov, Lena Gerwick, William H. Gerwick, Nuno Bandeira, Pieter C. Dorrestein
bioRxiv 2021.10.05.463235; doi: https://doi.org/10.1101/2021.10.05.463235
A supervised fingerprint-based strategy to connect natural product mass spectrometry fragmentation data to their biosynthetic gene clusters
Tiago F. Leao, Mingxun Wang, Ricardo da Silva, Justin J.J. van der Hooft, Anelize Bauermeister, Asker Brejnrod, Evgenia Glukhov, Lena Gerwick, William H. Gerwick, Nuno Bandeira, Pieter C. Dorrestein
bioRxiv 2021.10.05.463235; doi: https://doi.org/10.1101/2021.10.05.463235
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