对美国国家毒理学计划目前正在进行生物测定的一组化学品的啮齿动物致癌性进行定量构效关系预测。
QSAR prediction of rodent carcinogenicity for a set of chemicals currently bioassayed by the US National Toxicology Program.
作者信息
Benigni R
机构信息
Laboratory of Comparative Toxicology and Ecotoxicology, Istituto Superiore di Sanità, Rome, Italy.
出版信息
Mutagenesis. 1991 Sep;6(5):423-5. doi: 10.1093/mutage/6.5.423.
PMID:1795649
Abstract
A QSAR model based on the combination of two molecular descriptors--estimated electrophilic reactivity and Ashby's structural alerts--was used to predict the carcinogenicity of 44 chemicals currently bioassayed by the US National Toxicology Program. These predictions will be compared with the rodent carcinogenicity assay results as the assays are completed.
摘要
基于两个分子描述符（估计的亲电反应性和阿什比结构警报）组合的定量构效关系（QSAR）模型，用于预测美国国家毒理学计划目前正在进行生物测定的44种化学物质的致癌性。随着测定的完成，这些预测结果将与啮齿动物致癌性测定结果进行比较。
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