Covering: 1995 to 2023Advances in bioanalytical methods, particularly mass spectrometry,
have provided valuable molecular insights into the mechanisms of life. Non-targeted …

Computational predictions of mass spectra from molecules have enabled the discovery of
clinically relevant metabolites. However, such predictive tools are still limited as they occupy …

In recent years, tumors have emerged as a major global health threat. An increasing number
of studies indicate that the production, development, metastasis, and elimination of tumor …

Modern mass spectrometry-based metabolomics generates vast amounts of mass spectral
data as part of the chemical inventory of biospecimens. Annotation of the resulting MS/MS …

Small molecule metabolites mediate myriad biological and environmental phenomena
across host-microbiome interactions, plant chemistry, cancer biology, and various other …

We present LSM1-MS2, a pre-trained self-supervised foundation model designed for
tandem mass spectrometry (MS/MS) utilizing a transformer architecture with custom …

Plants produce an incredible array of specialized metabolites that are used to attract
pollinators, deter herbivores, communicate with each other, and regulate their own growth …