中文摘要：

系统生物学的发展为传统毒理学的研究提供了新机遇,逐步形成了系统毒理学.计算系统毒理学旨在整合毒理组学实验数据,构建多水平、多尺度的预测模型,定量评估化合物的安全性.目前已经发展了静态网络分析预测、动态网络模拟和有害结局路径等几种研究方法.虽起步不久,但在全面理解毒理学机制、发现新的生物标志物及化合物安全性综合评估等方面已表现出良好的应用前景.本文主要综述了计算系统毒理学的诞生背景、数据资源、研究方法、应用领域及未来展望.

英文摘要：

With the development of systems biology, there are new opportunities for the transformation of classical toxicology. Computational systems toxicology aims at building multi-level and multi-scale predictive models to quantitatively assess chemical safety, combining toxicogenomic experimental data. Many methods have been developed for computational systems toxicology; examples are methods that employ static network analysis and prediction, dynamic network simulation and adverse outcome pathways. Although in its early stage, computational systems toxicology has been applied to the overall understanding mechanism of toxicology, allowing the discovery of new biomarkers and the comprehensive assessment of chemical safety. This review mainly focuses on related data sources, the research status, applications, challenges and perspectives.