代谢组学是20世纪90年代初兴起的一门对细胞、组织或器官以及整个生物体系所有小分子代谢产物进行定性、定量分析的新技术。它采用核磁共振(NMR)或质谱(MS)技术为主要检测手段,将测量得到的生物体液、组织的代谢数据与化学计量学联系起来,建立复杂生物体系的代谢谱图,与基因组学、转录组学、蛋白质组学一起揭示生命运动的本质和规律。本文主要论述代谢组学在毒理学中的应用原理及现状,以及它在新药筛选及药物安全性评价中重要的实用价值。 Metabolomics is a new technique developed in the early 1990s for the qualitative and quantitative analysis of all small molecule metabolites of cells, tissues or organs and the entire biological system. It uses nuclear magnetic resonance (NMR) or mass spectrometry (MS) as the main detection means, and links the measured metabolic data of biological fluids and tissues with chemometrics to establish the metabolic spectrum of complex biological systems, which can be used in combination with genomics, transcription Group study, proteomics together reveal the nature and laws of life movement. This article mainly discusses the application principle and current situation of metabolomics in toxicology and its important practical value in new drug screening and drug safety evaluation.