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首页> 外文期刊>Environmental toxicology and chemistry >QUANTITATIVE STRUCTURE―ACTIVITY RELATIONSHIPS FOR HUMAN HEALTH EFFECTS: COMMONALITIES WITH OTHER ENDPOINTS
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QUANTITATIVE STRUCTURE―ACTIVITY RELATIONSHIPS FOR HUMAN HEALTH EFFECTS: COMMONALITIES WITH OTHER ENDPOINTS

机译:人类健康影响的定量结构-活动关系:与其他终点的共同点

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摘要

This article describes the use of quantitative structure-activity relationships (QSARs) to predict toxicity endpoints for ecologically relevant and human-surrogate species. The interrelationships between the endpoints, and the possibilities of exploring the commonalities of chemical action from one species to another as well as from one endpoint to another, are evaluated. A number of toxic endpoints are discussed including mutagenicity and carcinogenicity; developmental toxicity (teratogenicity); acute toxicity; skin sensitization; skin, eye, and sensory irritation; and the modeling of membrane permeability. A number of electrophilic molecular substructures have been identified that are common to a number of toxicities. It is postulated that if such a substructure is observed in a molecule, it may exhibit a range of toxicities. Further, there appear to be relationships between the toxicity to ecologically relevant and human-surrogate species, which may allow for appreciation and possible extrapolation in both directions. Overall, however, QSARs are limited by the paucity of available toxicological data and information.
机译:本文介绍了使用定量构效关系(QSAR)来预测生态相关和人类替代物种的毒性终点。评估了端点之间的相互关系以及探索从一种物种到另一物种以及从一种端点到另一种端点的化学作用的共性的可能性。讨论了许多毒性终点,包括致突变性和致癌性。发育毒性(致畸性);急性毒性;皮肤过敏;皮肤,眼睛和感觉刺激;以及膜渗透性的建模已经确定了许多毒性共有的许多亲电子分子亚结构。假定如果在分子中观察到这种亚结构,则它可能表现出一定范围的毒性。此外,对生态相关的物种和人类替代物种的毒性之间似乎存在关系,这可能会导致双向欣赏和推断。总体而言,QSAR受可用毒理学数据和信息的限制。

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