5 papers
MetaboT: An LLM-based Multi-Agent Frameworkfor Interactive Analysis of Mass SpectrometryMetabolomics Knowledge Graphs
Madina Bekbergenova, Lucas Pradi, Benjamin Navet +15
Mass spectrometry-based metabolomics generates complex, high-dimensional data that holds vast potential for biological discovery but remains difficult to integrate and interpret. K…
Foundation model for mass spectrometry proteomics
Justin Sanders, Melih Yilmaz, Jacob H. Russell +5
Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexi…
Strategic priorities for transformative progress in advancing biology with proteomics and artificial intelligence
Yingying Sun, Jun A, Zhiwei Liu +59
Artificial intelligence (AI) is transforming scientific research, including proteomics. Advances in mass spectrometry (MS)-based proteomics data quality, diversity, and scale, comb…
MassSpecGym: A benchmark for the discovery and identification of molecules
Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge +27
The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is…
RapidOMS: FPGA-based Open Modification Spectral Library Searching with HD Computing
Sumukh Pinge, Weihong Xu, Wout Bittremieux +3
Mass spectrometry (MS) is essential for protein analysis but faces significant challenges with large datasets and complex post-translational modifications, resulting in difficultie…