IMIBIC Mass Spectrometry and Molecular Imaging Unit, Maimonides, Biomedical Research Institute of Cordoba (IMIBIC), Reina Sofia University Hospital, University of Cordoba (UCO), Córdoba, Spain.
B2SLab, Departament d'Enginyeria de Sistemes, Automàtica i Informàtica Industrial, Universitat Politècnica de Catalunya, Barcelona, Spain.
Methods Mol Biol. 2023;2571:207-239. doi: 10.1007/978-1-0716-2699-3_20.
Metabolomics is the latest of the omics sciences. It attempts to measure and characterize metabolites-small chemical compounds <1500 Da-on cells, tissue, or biofluids, which are usually products of biological reactions. As metabolic reactions are closer to the phenotype, metabolomics has emerged as an attractive science for various areas of research, including personalized medicine. However, due to the complexity of data obtained and the absence of curated databases for metabolite identification, data processing is the major bottleneck in this area since most technicians lack the required bioinformatics expertise to process datasets in a reliable and fast manner. The aim of this chapter is to describe the available tools for data processing that makes an inexperienced researcher capable of obtaining reliable results without having to undergo through huge parametrization steps.
代谢组学是组学科学的最新分支。它试图测量和描述代谢物——细胞、组织或生物体液中的小分子化合物（<1500 Da），这些化合物通常是生物反应的产物。由于代谢反应更接近表型，代谢组学已经成为包括个性化医学在内的各个研究领域的热门科学。然而，由于获得的数据的复杂性以及缺乏用于代谢物鉴定的已编目数据库，数据处理是该领域的主要瓶颈，因为大多数技术人员缺乏必要的生物信息学专业知识，无法以可靠和快速的方式处理数据集。本章的目的是描述可用的数据处理工具，使没有经验的研究人员能够获得可靠的结果，而无需经过大量的参数化步骤。
