有机污染物生物富集因子定量预测模型建立与评价.pdfVIP

2009 年 第 54 卷 第 1 期 : 27 ~ 32 SCIENCE IN CHINA PRESS 有机污染物生物富集因子定量预测模型的建立与评价 * , , , , , , , , 116024 , E-mail: jwchen@ 2008-09-02 , 2008-11-20 (: 2006CB403302) Qin H, Chen J W, Wang Y, et al. Development and assessment of quantitative structure-activity r elationship models for bioconcentration factors of organic pollutants. Chinese Science Bulletin, 2009, 54(4): 628—634, doi: 10.1007/s11434-009-0053-2 (BCF). (OECD)-(QSAR), (LSER), (PLS)8 BCF QSAR . , Connolly (CMA)(α) (MW) BCF , , 2 . (R Y = 0.868, RMSE = 0.553) 2 2 (QCUM = 0.860)(QEXT = 0.755, RMSE = 0.647). Williams (AD). , BCF , . (BCF) , [13]. [1], (POPs) 2004 (OECD)QSAR 1), (PBT) , , 5 2) [2] 5) , BCF . BCF QSAR , 3,4), BCF [14~16]: (1) ; (2) , , . ; (3) ; (4) BCF . - ; (5) . [3~12] (QSAR) BCF, . BCF QSAR , / , QSAR (KOW), logKOW 6 () ; logKOW 6 [13]. QSAR , [12,17] . 1) UNEP (United Nations Environment Program). Fina