Carcinogenesis: a predictive structure-activity model.
Carcinogenesis: a predictive structure-activity model.
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致癌作用：预测结构活性模型。
DOI：
10.1080/15287398209530273
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发表时间：
1982
期刊：
影响因子：
--
通讯作者：
Craig,PN
中科院分区：
文献类型：
--
作者：
Enslein,K;Craig,PN
已经开发了一个统计结构-活性方程，用于估计尚未进行致癌试验的化学品的致癌潜力。该判别方程基于343种化合物的亚结构片段和分子量。用于设计方程的数据库来自国际癌症研究机构的专著。该模型中致癌物的分类准确率在87%到91%之间，非致癌物的分类准确率在78%到80%之间，其中有5.5%到10.2%的化合物无法分类。假阴性率在4% ~ 5%之间；假阳性率接近11%。
A statistical structure‐activity equation has been developed for the estimation of carcinogenic potential for chemicals that have not been subjected to carcinogenesis assays. This discriminant equation is based on substructural fragments and molecular weight obtained for 343 compounds. The data base used for the design of the equation was obtained from the monographs of the International Agency for Research on Cancer. The accuracy of classification for the carcinogens in the model is between 87 and 91%, and for noncarcinogens between 78 and 80% in the presence of between 5.5 and 10.2% of the compounds not being classifiable. The false negative rate ranges between 4 and 5%; the false positive rate is near 11%.