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Interpretation of the DOME Recommendations for Machine Learning in Proteomics and Metabolomics2022 Journal of Proteome Research article Chemistry Advanced Proteomics Techniques and Applications Open access
Magnus Palmblad, Sebastian Böcker, Sven Degroeve, Oliver Kohlbacher, Lukas Käll, William Stafford Noble, +1 more
16citations -
Translating community-wide spectral library into actionable chemical knowledge: a proof of concept with monoterpene indole alkaloids2025 Journal of Cheminformatics article Chemistry Mass Spectrometry Techniques and Applications Open access
Sarah Szwarc, Adriano Rutz, Kyungha Lee, Yassine M. Mejri, Olivier Bonnet, Hazrina Hazni, +18 more
7citations -
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks2024 Journal of Chemical Theory and Computation article Chemistry Surfactants and Colloidal Systems Open access cited by 1 patent
Christoforos Brozos, Jan G. Rittig, Elie Akanny, Christina Kohlmann, Alexander Mitsos
21citations -
A semi-automated hybrid HPLC-MS approach for in-depth characterization of intact non-covalent heterodimer glycoforms of gonadotropin biopharmaceuticals2023 Analytica Chimica Acta article Chemistry Mass Spectrometry Techniques and Applications Open access
Fiammetta Di Marco, Gabriele Blümel, Constantin Blöchl, Manfred Wuhrer, Christian G. Huber
3citations