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. 2019 Aug 6;53(8):843-850.
doi: 10.3760/cma.j.issn.0253-9624.2019.08.009.

[The development of computational toxicology and application in risk assessment of chemicals]

[Article in Chinese]
Affiliations

[The development of computational toxicology and application in risk assessment of chemicals]

[Article in Chinese]
R Zhang et al. Zhonghua Yu Fang Yi Xue Za Zhi. .

Abstract

The number of new chemicals increases tremendously annually, while traditional time-and cost-consuming toxicity tests based on animals with the uncertainty of extrapolation could not meet the demand of hazard identification and risk assessment. Thus,the evolution of methodology for toxicity tests is desired to fill up the huge data gap. With the rapid development of life science and technology,the insights into the nature of life and pathology of diseases have changed and systematic toxicology has emerged. Equipping with the advantages of multi-disciplinary study,systematic toxicology expands the research fields of toxicology and accelerates the speed of illustrating molecular mechanism of environmental xenobiotics, biomarkers screening and validation, and the development of new methods for risk assessment. Toxicogenomics and computational toxicology analysis are the major technology of systematic toxicology. Computational toxicology integrates data from toxicogenomics to construct multi-levels and multi-dimensional models for quantitative exposure risk assessment. This research summarized the research progress of computational toxicology from the aspects of research strategies, common databases, analytical tools, research methods and application, so as to provide references for the risk assessment of chemical substances.

每年新合成的化学物数量呈飞速增长的趋势,基于动物的传统毒性测试方法在化学物风险评估中存在成本高、耗时长、种属外推不确定性等问题,无法满足危害识别和风险评估的需求,形成了巨大的数据缺口,毒理学的研究方法亟待革新。生命科学新理论和新技术的飞速发展不断更新我们对生命本质和疾病发生、发展的认识,基于系统生物学整体思路和框架的系统毒理学应运而生。系统毒理学在多学科交叉研究的优势下拓展了基础毒理学的研究范围,对阐明环境毒物的分子机制、分子生物标志筛查验证和风险评价新方法建立等起到极大的推动作用。毒理组学技术及计算毒理学分析是系统毒理学研究框架的主要技术元素,计算毒理学整合毒理组学实验数据,用于构建多水平、多尺度的预测模型,定量评估化合物的暴露风险。本研究从研究策略、常用数据库、分析工具、研究方法及应用领域等方面,对计算毒理学的研究进展进行了归纳总结,以期为化学物质风险评估提供借鉴和参考。.

Keywords: Hazardous substances; Risk assessment; Toxicology.

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