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首页> 外文期刊>Toxicology Letters: An International Journal Providing a Forum for Original and Pertinent Contributions in Toxicology Research >Comparative analysis of pharmaceuticals versus industrial chemicals acute aquatic toxicity classification according to the United Nations classification system for chemicals. Assessment of the (Q)SAR predictability of pharmaceuticals acute aquatic to
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Comparative analysis of pharmaceuticals versus industrial chemicals acute aquatic toxicity classification according to the United Nations classification system for chemicals. Assessment of the (Q)SAR predictability of pharmaceuticals acute aquatic to

机译：根据联合国化学品分类系统对药品和工业化学品进行急性水生毒性分类的比较分析。药物（Q）SAR的可预测性评估

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Pharmaceuticals have been reported to be ubiquitously present in surface waters prompting concerns of effects of these bioactive substances. Meanwhile, there is a general scarcity of publicly available ecotoxicological data concerning pharmaceuticals. The aim of this paper was to compile a comprehensive database based on OECD's standardized measured ecotoxicological data and to evaluate if there is generally cause of greater concern with regards to pharmaceutical aquatic toxicological profiles relative to industrial chemicals. Comparisons were based upon aquatic ecotoxicity classification under the United Nations Global Harmonized System for classification and labeling of chemicals (GHS). Moreover, we statistically explored whether the predominant mode-of-action (MOA) for pharmaceuticals is narcosis. We found 275 pharmaceuticals with 569 acute aquatic effect data; 23 pharmaceuticals had chronic data. Pharmaceuticals were found to be more frequent than industrial chemicals in GHS category III. Acute toxicity was predictable (>92%) using a generic (Q)SAR ((Quantitative) Structure Activity Relationship) suggesting a narcotic MOA. Analysis of model prediction error suggests that 68% of the pharmaceuticals have a non-specific MOA. Additionally, the acute-to-chronic ratio (ACR) for 70% of the analyzed pharmaceuticals was below 25 further suggesting a non-specific MOA. Sub-lethal receptor-mediated effects may however have a more specific MOA.
机译：据报道，在地表水中普遍存在药物，这引起人们对这些生物活性物质作用的担忧。同时，关于药物的可公开获得的生态毒理学数据普遍缺乏。本文的目的是基于经合组织标准化的测得的生态毒理学数据，建立一个综合数据库，并评估与工业化学药品有关的药物水生毒理学概况是否普遍引起人们的更大关注。比较是根据联合国全球化学品统一分类和标签制度（GHS）下的水生生态毒性分类进行的。此外，我们从统计学角度探讨了药物的主要作用方式（MOA）是否为​​麻醉。我们发现了275种具有569种急性水生作用数据的药物; 23种药物具有慢性数据。在GHS类别III中，发现药物比工业化学品更常见。使用一般（Q）SAR（（定量）结构活性关系）可以预测出急性毒性（> 92％），表明存在麻醉性MOA。对模型预测误差的分析表明，68％的药物具有非特异性MOA。此外，所分析药物的70％的急性与慢性比率（ACR）低于25，进一步表明了非特异性MOA。然而，亚致死受体介导的作用可能具有更特异性的MOA。

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