1. Accelerating biologic process development: Rapid Media Screening through AI/ML-Powered LC-MS Metabolomic Analysis with Universal Calibrators
Authored by Merck & Co., Inc. in collaboration with Matterworks.
2. Prediction of isotopologue concentration from an AI model for unlabeled analytes: The foundation for absolute quantitation in metabolomic flux analyses
3. Metabolomic Characterization of a Perfusion Bioprocess System using Pyxis – A Machine Learning Tool for Absolute Quantitation
Authored by Just Evotec Biologics in collaboration with Matterworks.
4. LSM1-MS2: A self-supervised foundation model for MS2 downstream tasks including broad chemical property prediction and spectral lookup
5. Direct comparison of a machine learning-based tool for rapid absolute quantification of metabolites in biological samples with traditional isotopologue analysis
Authored in collaboration with Sartorius Stedim GmbH.
6. Benchmarking of a machine learning model developed for quantitative metabolomics
7. Absolute quantitation of metabolites in murine blood plasma using machine learning: a step towards generalizing to untrained analytes.
Authored in collaboration with Boston Children's Hospital & Harvard Medical School.