APTox：化学混合物毒性评估与预测
刘树深;张瑾;张亚辉;覃礼堂
【期刊名称】《化学学报》 【年(卷),期】2012(070)014
【摘要】真实环境中化学混合物的存在是普遍规律.化学混合物联合效应具有与单个组分不同的变化规律,目前缺少有效方法学与可靠基础数据.近年来,我们试图探索建立化学混合物毒性评估与预测（APTox）的方法体系.发展了微板毒性分析法（MTA）以提高测试数据精密度,创建了直接均分射线（EquRay）与均匀设计射线（UD-Ray）法来有效表征混合物浓度组成,建立了支持向量回归（SVR）技术拟合不同形状浓度-效应曲线,提出了将实验混合物整体剂量-效应曲线（CRC）与加和参考模型预测CRC比较以评价混合物毒性相互作用的方法,集成多种技术设计开发了化学混合物毒性评估与预测的应用程序.%In real environment, various chemicals are always existing as mixtures. The joint effect of a chemical mixture has different features from the components alone and it is not always predicted by the concentration-response information of pure components in the mixture. At present, there is no general approach and procedure for the estimation on the joint effect of a chemical mixture and neither credible fundamental data to develop novel methodology. In recent years, we developed the microplate toxicity analysis to improve the precision in the determination of toxicity data, created the direct equipartition ray to characterize the concentration composition of various binary mixtures
and the uniform design ray to represent the concen- tration diversity in the real mixtures, built the support vector regression technique to model various shapes of different con- centration-response curves such as sigmoid curve and hormetic J-shaped curve, proposed the comparison of the whole con- centration-response curve of the mixture observed with that predicted by the additive reference model to analyze the toxicity interaction such as synergism or antagonism taken place in a mixture, and designed a computer program named as the as- sessment and prediction of toxicity of chemical mixture, simply APTox, by integrating with many techniques such as microplate concentration design, best subset regression, iterative algorithm, and so on. 【总页数】7页(1511-1517)
【关键词】化学混合物;微板毒性分析;直接均分射线;均匀设计射线;支持向量回归;APTox
【作者】刘树深;张瑾;张亚辉;覃礼堂
【作者单位】同济大学环境科学与工程学院长江水环境教育部重点实验室,上海200092;同济大学环境科学与工程学院长江水环境教育部重点实验室,上海200092 安徽建筑工业学院环境与能源工程学院,合肥230601;同济大学环境科学与工程学院长江水环境教育部重点实验室,上海200092 中国环境科学研究院环境基准与风险评估国家重点实验室,北京100012;同济大学环境科学与工程学院长江水环境教育部重点实验室,上海200092 【正文语种】中文
【中图分类】TP181 【文献来源】
https://www.zhangqiaokeyan.com/academic-journal-cn_acta-chimica-sinica_thesis/0201272165812.html 【相关文献】
1.浓度加和模型在化学混合物毒性评估中的应用 [J], 刘树深; 刘玲; 陈浮 2.混合物MH—81状态方程的研究：从无限稀释活度系数预测混合物汽… [J], 陈新志; 侯虞钧
3.基于主成分回归的整合模型预测重金属混合物毒性 [J], 邓杨; 覃礼堂; 曾鸿鹄; 秦萌; 莫凌云; 梁延鹏; 宋晓红
4.改进的整合加和模型INFCIM及其应用于混合物毒性预测 [J], 覃礼堂; 刘树深; 莫凌云
5.混合物毒性预测新模型建立和验证 [C], 覃礼堂; 刘树深; 莫凌云
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APTox：化学混合物毒性评估与预测
