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Toward an Integrated Machine Learning Model of a Proteomics Experiment2023 Journal of Proteome Research article Chemistry Advanced Proteomics Techniques and Applications Open access
Benjamin A. Neely, Viktoria Dorfer, Lennart Martens, Isabell Bludau, Robbin Bouwmeester, Sven Degroeve, +12 more
74citations -
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 -
Tree-Based Learning on Amperometric Time Series Data Demonstrates High Accuracy for Classification2023 arXiv (Cornell University) preprint Chemistry Electrochemical Analysis and Applications Open access
Jeyashree Krishnan, Zeyu Lian, Pieter E. Oomen, Xiulan He, Soodabeh Majdi, Andreas Schuppert, +1 more
1citations -
Mapping Boryl Radical Properties and Reactivity Using Machine Learning: The B‐Rad and React‐B‐Rad Maps2025 Angewandte Chemie International Edition article Chemistry Organoboron and organosilicon chemistry
Beatriz Peñín, Nil Sanosa, Cecilia Merino‐Robledillo, Aimara García‐Camacho, Diego Sampedro, Julian A. Hueffel, +1 more
3citations -
Machine Learning Modeling for Solubility Prediction in Pharmaceutical-Ionic Liquid Systems with Deep Feature Search2026 Molecular Pharmaceutics article Chemistry Ionic liquids properties and applications Open access
Sima Rezvantalab, Sara Mihandoost, Roger M. Pallares, Fabian M. Kiessling
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 -
Characterization of Hormone Receptor and HER2 Status in Breast Cancer Using Mass Spectrometry Imaging2023 International Journal of Molecular Sciences article Chemistry Mass Spectrometry Techniques and Applications Open access cited by 1 patent
Juliana Pereira Lopes Gonçalves, Christine Bollwein, Aurelia Noske, Anne Jacob, Paul Jank, Sibylle Loibl, +13 more
14citations -
Community-driven advances in computational mass spectrometry: The perspective of EuBIC-MS members2026 Journal of Proteomics article Chemistry Advanced Proteomics Techniques and Applications Open access
Dirk Winkelhardt, Julia Patricia Schessner, Sven Berres, Alireza Nameni, Armin Soleymaniniya, Ayla Schröder, +17 more
0citations -
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
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