A transformer is the foundational architecture behind large language models designed to
handle sequential data by using mechanisms of self‐attention to weigh the importance of …

Highlights•LC-MS-based metabolomics approaches for foodomics studies•Sample
preparation of diverse sample types and a multiplatform LC-MS-based approach•Data …

Tandem mass spectra capture fragmentation patterns that provide key structural information
about molecules. Although mass spectrometry is applied in many areas, the vast majority of …

Metabolomics has emerged as an indispensable tool for exploring complex biological
questions, providing the ability to investigate a substantial portion of the metabolome …

Research into natural products emerged from humanity's curiosity about the nature of matter
and its role in the materia medica of diverse civilizations. Plants and fungi, in particular …

The discovery and identification of molecules in biological and environmental samples is
crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry …

Motivation: A major challenge in metabolomics is annotation: assigning molecular structures
to mass spectral fragmentation patterns. Despite recent advances in molecule-to-spectra …

Non-targeted screening with liquid chromatography coupled to high-resolution mass
spectrometry (LC/HRMS) is increasingly leveraging in silico methods, including machine …

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 …

次生代谢产物研究对于植物生长发育, 环境适应以及人类健康和药物研发具有重要意义.
液相色谱-质谱联用平台(LC-MS) 已成为次生代谢研究的首选策略. 然而, 代谢物结构解析仍受限 …