A map of mass spectrometry-based in silico fragmentation prediction and compound identification in metabolomics CA Krettler, GG Thallinger Briefings in Bioinformatics 22 (6), bbab073, 2021 | 27 | 2021 |
Software and computational tools for LC-MS-based epilipidomics: Challenges and solutions T Damiani, S Bonciarelli, GG Thallinger, N Koehler, CA Krettler, ... Analytical chemistry 95 (1), 287-303, 2023 | 9 | 2023 |
Multi-scale sinusoidal embeddings enable learning on high resolution mass spectrometry data G Voronov, R Lightheart, J Davison, CA Krettler, D Healey, T Butler arXiv preprint arXiv:2207.02980, 2022 | 9 | 2022 |
Identification and Quantification of Oxidized Lipids in LC-MS Lipidomics Data CA Krettler, J Hartler, GG Thallinger Studies in Health Technology and Informatics 271, 39-48, 2020 | 4 | 2020 |
Beyond AI: Exploring Metabolomics with Quantum Chemistry CA Krettler, J Taylor, D Healey, T Kind | | |