对第二组正在进行致癌性测试的有机化学品致癌性的预测。
Prediction of the carcinogenicity of a second group of organic chemicals undergoing carcinogenicity testing.
作者信息
Zhang Y P, Sussman N, Macina O T, Rosenkranz H S, Klopman G
机构信息
Department of Environmental and Occupational Health, University of Pittsburgh, Pennsylvania 15238, USA.
出版信息
Environ Health Perspect. 1996 Oct;104 Suppl 5(Suppl 5):1045-50. doi: 10.1289/ehp.96104s51045.
Abstract
Twenty-four organic compounds currently undergoing testing within cancer bioassays under the aegis of the U.S. National Toxicology Program (NTP) were submitted to the computer automated structure evaluation (CASE) and multiple computer automated structure evaluation (MULTICASE) system for predictions of activity. Individual predictions resulting from the NTP combined rodent, NTP mouse, Carcinogenic Potency Database (CPDB) combined rodent, and CPDB mouse databases were combined using Bayes' theorem to yield an overall probability of rodent carcinogenicity. Based upon an arbitrary probability cut-off of 0.50, nine compounds were predicted to be rodent carcinogens. The predicted carcinogens are chloroprene, 1-chloro-2-propanol, codeine, emodin, furfuryl alcohol, isobutyraldehyde, primaclone, sodium xylenesulfonate, and t-butylhydroquinone.
摘要
目前正在美国国家毒理学计划（NTP）主持的癌症生物测定中接受测试的24种有机化合物，被提交至计算机自动结构评估（CASE）和多重计算机自动结构评估（MULTICASE）系统以预测活性。由NTP啮齿动物组合、NTP小鼠、致癌潜能数据库（CPDB）啮齿动物组合以及CPDB小鼠数据库得出的个体预测结果，使用贝叶斯定理进行合并，以得出啮齿动物致癌性的总体概率。基于0.50的任意概率截止值，预测有9种化合物为啮齿动物致癌物。预测的致癌物为氯丁二烯、1-氯-2-丙醇、可待因、大黄素、糠醇、异丁醛、扑米酮、二甲苯磺酸钠和叔丁基对苯二酚。
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