Semi-supervised learning on molecular data for biomedical discovery

Source
Antwerp, University of Antwerp, Department of Computer Science,XVIII, 120 p.
Author(s)

A resource to empirically establish drug exposure records directly from untargeted metabolomics data

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Nature communications - ISSN 2041-1723-16:1 (2025) p. 1-16
Author(s)
    Haoqi Nina Zhao, Kine Eide Kvitne, Corinna Brungs, Siddharth Mohan, Vincent Charron-Lamoureux, Wout Bittremieux, Runbang Tang, Robin Schmid, Santosh Lamichhane, Shipei Xing, Yasin El Abiead, Mohammadsobhan S. Andalibi, Helena Mannochio-Russo, Madison Ambre, Nicole E. Avalon, MacKenzie Bryant, Lindsey A. Burnett, Andrés Mauricio Caraballo-Rodríguez, Martin Casas Maya, Loryn Chin, Lluís Corominas, Ronald J. Ellis, Donald Franklin, Sagan Girod, Paulo Wender P. Gomes, Lauren Hansen, Robert K. Heaton, Jennifer E. Iudicello, Alan K. Jarmusch, Lora Khatib, Scott Letendre, Sarolt Magyari, Daniel McDonald, Ipsita Mohanty, Andrés Cumsille, David J. Moore, Prajit Rajkumar, Dylan H. Ross, Harshada Sapre, Mohammad Reza Zare Shahneh, Ruben Gil-Solsona, Sydney P. Thomas, Caitlin Tribelhorn, Helena M. Tubb, Corinn Walker, Crystal X. Wang, Jasmine Zemlin, Simone Zuffa, David S. Wishart, Pieter C. Dorrestein

mzPeak : designing a scalable, interoperable, and future-ready mass spectrometry data format

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Journal of proteome research - ISSN 1535-3893- (2025) p. 1-7
Author(s)
    Tim Van Den Bossche, Theodore Alexandrov, Aivett Bilbao, Wout Bittremieux, Federico Ivan Brigante, Matthew Chase Chambers, Joshua Charkow, Eric Deutsch, Andrew W. Dowsey, Yasin El Abiead, Ralf Gabriels, Helge Hecht, Steffen Heuckeroth, Joshua A. Klein, Michael Knierman, Lennart Martens, Robert L. Moritz, Laura-Isobel McCall, Steffen Neumann, Yasset Perez-Riverol, Hannes L. Röst, Elliott J. Price, Jim Shofstahl, David L. Tabb, Julian Uszkoreit, Juan Antonio Vizcaíno, Mingxun Wang, Sander Willems, Dirk Winkelhardt, Oliver Kohlbacher, Samuel P. Wein

Scalability of mass spectrometry-based metabolomics for natural extracts libraries exploration : current status, challenges, and opportunities

Source
Natural product reports : a journal of current developments in bio-organic chemistry - ISSN 1460-4752- (2025) p. 1-24
Author(s)
    Adriano Rutz, Wout Bittremieux, Robin Schmid, Olivier Cailloux, Justin J.J. van der Hooft, Mehdi A. Beniddir