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Neutral Loss Mass Spectral Data Enhances Molecular Similarity Analysis in METLIN2022 Journal of the American Society for Mass Spectrometry article Chemistry Mass Spectrometry Techniques and Applications Open access cited by 1 patent
Aries Aisporna, H. Paul Benton, Andy Chen, Rico J. E. Derks, Jean‐Marie Galano, Martin A. Giera, +1 more
52citations -
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 -
Cover Feature: Kinetic Investigation of the Reaction of Dioxygen with the Copper(I) Complex [Cu(PimiPr2)(CH3CN)]CF3SO3 {PimiPr2 = Tris[2‐(1,4‐diisopropylimidazolyl)]phosphine} (Eur. J. Inorg. Chem. 33/2020)2020 European Journal of Inorganic Chemistry article Chemistry Metal-Catalyzed Oxygenation Mechanisms Open access
Markus M. Lerch, Markus Weitzer, Tim‐Daniel J. Stumpf, Larissa Laurini, Alexander Hoffmann, Jonathan Becker, +4 more
0citations -
Graph neural networks for surfactant multi-property prediction2024 Colloids and Surfaces A Physicochemical and Engineering Aspects article Chemistry Surfactants and Colloidal Systems Open access cited by 1 patent
Christoforos Brozos, Jan G. Rittig, Elie Akanny, Christina Kohlmann, Alexander Mitsos
30citations -
Amino−Organolithium Compounds and their Aggregation for the Synthesis of Amino−Organoaluminium Compounds2021 European Journal of Inorganic Chemistry article Chemistry Coordination Chemistry and Organometallics Open access
Alexander Bodach, Jochen Ortmeyer, Bastian Herrmann, Michael Felderhoff
5citations -
Native Structural and Functional Proteoform Characterization of the Prolyl-Alanyl-Specific Endoprotease EndoPro from Aspergillus niger2021 Journal of Proteome Research article Chemistry Mass Spectrometry Techniques and Applications Open access
Guusje van Schaick, Elena Domínguez‐Vega, Christoph Gstöttner, Johanna H. van den Berg-Verleg, Michiel Akeroyd, Maurien M. A. Olsthoorn, +4 more
14citations