Molecular structure discovery for untargeted metabolomics using biotransformation rules and global molecular networking

Source
Zenodo, 2024,
Author(s)

RapidOMS : FPGA-based Open Modification Spectral Library Searching with HD computing

Source
2024 IEEE Biomedical Circuits and Systems Conference (BioCAS), 24-26 October 2024, Xi'an, China- () p. 1-5
Author(s)
    Sumukh Pinge, Weihong Xu, Wout Bittremieux, Niema Moshiri, Sang-Woo Jun, Tajana Rosing

MassSpecGym : a benchmark for the discovery and identification of molecules

Source
38th Conference on Neural Information Processing Systems (NeurIPS 2024)- (2024) p. 1-18
Author(s)
    Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge, Adamo Young, Fleming Kretschmer, Raman Samusevich, Janne Heirman, Fei Wang, Luke Zhang, Kai Dührkop, Marcus Ludwig, Nils A. Haupt, Apurva Kalia, Corinna Brungs, Robin Schmid, Russell Greiner, Bo Wang, David Wishart, Liping Liu, Juho Rousu, Wout Bittremieux, Hannes Rost, Tytus D. Mak, Soha Hassoun, Florian Huber, Justin J.J. van der Hooft, Michael A. Stravs, Sebastian Böcker, Josef Sivic, Tomas Pluskal

Deep learning methods for de novo peptide sequencing

Source
Mass spectrometry reviews - ISSN 0277-7037- (2024) p. 1-20
Author(s)