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Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT

文献类型：期刊论文

作者LAGUNIN ALEXEY ; FILIMONOV DMITRII ; ZAKHAROV ALEXEY ; XIE WEI ; HUANG YING ; ZHU FUCHENG ; SHEN TIANXIANG ; Yao JH(姚建华) ; POROIKOV VLADIMIR
刊名QSAR Comb. Sci.
出版日期2009
卷号28期号:8页码:806-810
ISSN号1611-020X
其他题名计算机辅助啮齿动物致癌毒性预测系统：PASS和CISOC-PSCT
通讯作者POROIKOV VLADIMIR
英文摘要Computer-aided prediction of rodent carcinogenicity for the external test set consisting of 293 chemicals was performed by PASS (Prediction of Activity Spectra for Substances) and by CISOC-PSCT. The set included 64 carcinogens from ISS Carcinogens Data Bank and 229 noncarcinogens from the Prestwick Chemical Library. We calculated the accuracy of carcinogenicity prediction by PASS and CISOC-PSCT in apart, and by the two programs together (the consensus model). Sensitivity, specificity and accuracy (concordance) were calculated for the external test set by PASS (0.81, 0.74, 0.76), by CISOC-PSCT (0.36, 0.89, 0.77) and by the consensus model (0.69, 0.86, 0.83). Thus, taking into account the prediction results of two computer programs for rodent carcinogenicity the consensus model increases the accuracy of prediction.
学科主题计算机化学与化学信息学
收录类别SCI
原文出处http://dx.doi.org/10.1002/qsar.200860192
语种英语
WOS记录号WOS:000269223200007
公开日期2013-03-11
源URL[http://202.127.28.38/handle/331003/23732]  
专题上海有机化学研究所_计算机化学与化学信息学研究室
推荐引用方式
GB/T 7714		 LAGUNIN ALEXEY,FILIMONOV DMITRII,ZAKHAROV ALEXEY,et al. Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT[J]. QSAR Comb. Sci.,2009,28(8):806-810.
APA LAGUNIN ALEXEY.,FILIMONOV DMITRII.,ZAKHAROV ALEXEY.,XIE WEI.,HUANG YING.,...&POROIKOV VLADIMIR.(2009).Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT.QSAR Comb. Sci.,28(8),806-810.
MLA LAGUNIN ALEXEY,et al."Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT".QSAR Comb. Sci. 28.8(2009):806-810.

入库方式： OAI收割

来源：上海有机化学研究所

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