[ 1] 秦正龙, 冯长君. QSAR法研究取代苯酚的生物活性[ J]. 环境科学与技术, 2006, 29(5): 7-10.
[ 2] 王连生. 有机污染化学[M]. 北京: 化学工业出版社, 2004. 219- 244.
[ 3] 赵元惠, 杨邵贵. 松花江中取代苯酚和取代苯胺类的生物降解性及QSBR研究[ J]. 环境科学学报, 2002, 22( 1): 45-50.
[ 4] 陈艳. 分子键连接性指数及其应用[ J]. 南京理工大学学报, 2005, 29( 5): 594- 597.
[ 5] 堵锡华. 基团距离参数和连接性指数对烷烃折光指数的拓扑研究[ J]. 南京理工大学学报, 2006, 30( 1): 106-109.
[ 6] 谷成刚, 蒋新, 卞永荣, 等. 基于DFT的二口恶口英脂-水分配系数QSPR研究[ J]. 环境科学, 2008, 29( 5): 1330- 1335.
[ 7] 冯长君, 沐来龙,杨伟华, 等. 有机污染物的生物富集因子与拓扑指数的数学模型[ J]. 物理化学学报, 2008, 24( 6): 1053-1057.
[ 8] LiY, XiD.l Quantitative structure-activity relationship study onthebiodegradationof aciddyestuffs[ J]. Journal ofEnvironmental Sciences, 2007, 19: 800-804.
[ 9] 瞿福平, 张晓健,何苗, 等. 氯代芳香化合物生物降解性能与其化学结构的相关性[ J]. 环境科学, 1998, 19( 6): 26-28.
[ 10] 张锡挥. 高等环境化学与微生物学原理及应用[M]. 北京:化学工业出版社, 2001. 18-19, 87-97.
[ 11] LuGH, WangC, YuanX, eta.l QSBRstudy of sub-stitutedphenolsandbenzoic acids[ J]. Journal of En-vironmentalSciences, 2003, 15( 1): 88- 91.
[ 12] 黄俊, 余刚, 王溢磊, 等. 用量子化学方法预测PC-DFs的Ah受体结合能力( 1)-神经网络模型[ J]. 南京理工大学学报, 2003, 27( 6): 709-714.
[ 13] Kier LB, HallLH. Molecular Connectivity inStruc-ture-activityAnalysis[M]. England: ResearchStudies Press, 1986. 82.
[ 14] Chora?zewskiM, GoralskiP, TkaczykM. Heat capac-i ties of 1-chloroalkanes and 1-bromoalkaneswithin the temperature range from284. 15Kto353. 15K. agroup additivity and molecular connectivity analysis[ J]. JChemEngData, 2005, 50(2): 619-624.
[ 15] WienerH. Structural determinationof parafflnboihing points[ J]. JAmChemSoc, 1947, 69( 1): 17- 20.
[ 16] RandicM. OnCharacterizationofmolecular branch-ing[ J]. JAmerChemSoc, 1975, 97( 23): 6609-6615.
[ 17] DowdyDL, MckoneTE, HsiehDPH. Predictionof chemical biotransfer of organic chemicals fromcattle diet into beefandmilkusing themolecular connectiv-i ty index[ J]. Environ SciTechno,l 1996, 30( 3): 984- 989.
[ 18] RandicM, PompeM. The variablemolecular descrip-torsbasedondistance relatedmatrices[ J]. JChemInf Comput Sc,i 2001, 41( 3): 575- 581. [ 19] MuL L, Feng CJ, HeHM. Modeling diamagnetic susceptibilitiesoforganic compoundswithanovelcon-nectivity index [ J]. Ind Eng Chem Res, 2008, 47( 7): 2428-2433.
[ 20] LierLB, HallLH. Structure-activityStudiesonhalluc-i nogenic amphetaminesusingmolecular connectivity[ J]. Journal of Medicinal Chemistry, 1977, 20( 12): 1631 -1636.
[ 21] Saiz-UrraL, GonzaezMP, TeijeiraM. 2D-autocorre-lationdescriptors for predicting cytotoxicity ofnaphtho-quinone ester derivatives against oral human epider-moidcarcinoma[ J]. Bioorganic andMedicinalChem-istry, 2007, 15: 3565-3571.
[ 22] Saiz-UrraL, GonzaezMP, TeijeiraM. QSAR studies about cytotoxicity of benzophenazineswithdual inhib-i tion toward both topoisomerasesÑ andÒ : 3D-MoRSE descriptorsand statistical considerations about variable selection[ J]. Bioorganic andMedicinal Chemistry, 2006, 14: 7347-7358.
[ 23] 许禄, 邵学广. 化学计量学方法[M]. 北京: 科学出版社, 2004. 441.
[ 24] YangHW, JiangZP, ShiSQ. Anaerobicbiodegrad-ability of aliphatic compounds and their quantitative structurebiodegradability relationship[ J]. Science of theTotalEnvironment, 2004( 322): 209- 219.