基于区间活性数据的定量结构-活性关系

赵劲松

doi:10.7524/j.issn.0254-6108.2013.07.009

[1]

王连生.有机污染化学 [M]. 北京: 高等教育出版社, 2004

[2]

赵劲松. 部分有机磷化合物的定量构效关系研究 . 南京: 南京大学博士学位论文, 2005

[3]

陈景文, 李雪花, 于海瀛, 等. 面向毒害有机物生态风险评价的 (Q)SAR 技术: 进展与展望 [J]. 中国科学: B辑, 2008, 38(6): 461-474

[4]

肖乾芬, 高树梅, 王晓栋, 等. 取代苯酚对人体外周血淋巴细胞的遗传毒性及定量结构关系 [J]. 环境化学, 2007, 26(5): 582-587

[5]

Moudgal C J, Young D, Nichols T, et al. Application of QSARs and VFARs to the rapid risk assessment process at US EPA [J]. SAR QSAR Environ Res, 2008, 19(5/6): 579-587

[6]

Walker J D. International workshops on QSARs in the environmental sciencesThe first 20 years [J]. QSAR Comb Sci, 2003, 22(4): 415-421

[7]

Tetko I V, Gasteiger J, Todeschini R, et al. Virtual computational chemistry laboratoryDesign and description[J]. J Comput Aid Mol Des, 2005, 19(6): 453-463

[8]

U.S. Environmental Protection Agency. ECOTOX User Guide: ECOTOXicology Database System. Version 4.0 . . 2013,http:/www.epa.gov/ecotox/

[9]

Lind P. QSAR analysis involving assay results which are only known to be greater than, or less than some cut-off limit [J]. Mol Inf, 2010, 29: 845-852

[10]

Klein J P, Moeschberger M L. Survival analysis: Techniques for censored and truncated data (2^nd Edition)[M]. New York: Springer, 2003.

[11]

Aitkin M. A note on the regression analysis of censored data [J]. Technometrics, 1981, 23(2): 161-163

[12]

Schmee J, Hahn, G J. A simple method for regression analysis with censored data [J]. Technometrics, 1979, 21(4): 417-432

[13]

Miller R, Halpern J. Regression with censored data [J]. Biometrika, 1982, 69(3): 521-531

[14]

DiCiccio T J, Field C A. An accurate method for approximate conditional and Bayesian inference about linear regression models from censored data [J]. Biometrika, 1991, 78(4): 93-110

[15]

Gelman A, Carlin J B, Stern H S, et al. Bayesian data analysis (2^nd Edition)[M]. Boca Raton, Florida: Chapman & Hall, 2004

[16]

Spiegelhalter D J, Best N G, Carlin B P, et al. Bayesian measures of model complexity and fit[J]. J R Statist Soc B, 2002, 64(4): 583-639

[17]

Borth D M. Optimal experimental designs for (possibly) censored data [J]. Chemometr Intell Lab Syst, 1996, 32(1): 25-35

[18]

陈景文, 廖宜勇, 王连生. 取代苯胺和苯酚类化合物对大型溞 (Daphnia magna Straus) 的定量结构-活性关系研究 [J]. 环境科学学报, 1997, 17(3): 365-371

[19]

Lunn D, Spiegelhalter D, Thomas A, et al. The BUGS project: Evolution, critique and future directions [J]. Stat Med, 2009, 28(25): 3049-3082