参考文献/References:
[1] 曹慧,李祖光,杨美丹,等. 香水百合头香成分的定量结构-色谱保留关系研究[J]. 分析测试学报,2008,27(11):1198-1202.
Cao Hui,Li Zuguang,Yang Meidan,et al. The study on quantitative structure-retention relationships for volatile fragrance compounds in fresh flowers of Liliumspp[J]. Journal of Instrumental Analyseis,2008,27(11):1198-1202.
[2]Kier L B,Hall L H. Molecular connectivity in structure-activity analysis[M]. Taunton,US:Research Studies Press,1986:82.
[3]Hall L H,Kier L B,Brown B B. Molecular simmilarity based on novel atom-type electrotopological state indices[J]. Journal of Chemical Information and Computer Sciences,1995,35(6):1074-1080.
[4]Liu S S,Liu H L,Yin C S,et al.VSMP:A novel variable selection and modeling method based on the prediction[J]. Journal of Chemical Informationand Computer Sciences,2003,43(3):964-969.
[5]冯长君. 茶叶上农药生物降解性的电性距离矢量预测[J]. 南京理工大学学报,2011,35(5):722-725.
Feng Changjun. Biodegradability prediction of pesticides in tea plant using molecular electronegativity distance vector[J]. Journal of Nanjing University of Science and Technology,2011,35(5):722-725.
[6]胡黔楠,梁逸曾,王亚丽,等. 直观队列命名法的基本原理及其在矩阵与拓扑指数计算中的应用[J]. 计算机与应用化学,2003,20(4):386-390.
Hu Qiannan,Liang Yizeng,Wang Yali,et,al. The basic principles of heuristic queue notation and its applications in calculation of matrix and topological index for topological graphs[J]. Computers and Applied Chemistry,2003,20(4):386-390.
[7]张婷,梁逸曾,赵晨曦,等. 基于分子结构预测气相色谱程序升温保留指数[J]. 分析化学,2006,34(11):1607-1610.
Zhang Ting,Liang Yizeng,Zhao Chenxi,et,al. Prediction of temperature-programmed retention indices from molecule structures[J]. Analytical Chemistry,2006,34(11):1607-1610.
[8]赵筱萍,范骁辉,余杰,等. 一类基于组效关系神经网络模型的中药药效预测方法[J]. 中国中药杂志,2004,29(11):1082-1085.
Zhao Xiaoping,Fan Xiaohui,Yu Jie,et al. A method for predicting activity of traditional Chinese medicine based on quantitative composition-activity relationship of neural network model[J]. China Journal of Chinese MateriaMedica,2004,29(11):1082-1085.
[9]Urra L S,Gonza Lez M P,Teijeira M. 2D-autocorrelation descriptors for predicting cytotoxicity naphthoquinone ester derivatives against oral human epidermoid carcinoma[J]. Bioorg Med Chem,2007,15(10):3565-3571.
[10]陈艳,堵锡华. 紫杉醇类似物抗癌活性与分子结构的定量构效关系[J]. 中草药,2011,42(2):318-322.
Chen Yan,Du Xihua. Relationship between anticancer activity and molecular structure of paclitaxel analogues[J]. Chinese Traditional and Herbal Drugs,2011,42(2):318-322.
[11]李仲. 人工神经网络研究硝基苯化合物结构与毒性的关系[J]. 分子科学学报,2011,27(4):258-261.
Li Zhong. The study of the structure-toxicity relationships of nitrobenzene derivatives[J]. Journal of Molecular Science,2011,27(4):258-261.
[12]许禄,邵学广. 化学计量学方法(第二版)[M]. 北京:科学出版社,2004.
[13]冯长君,刘玉胜,冯慧. 储良龙眼挥发性成分的定量-保留指数分析[J]. 食品科学,2012,33(8):244-247.
Feng Changjun,Liu Yusheng,Feng Hui. Quantitative structure-retention relationship analysis of volatile compounds in longan[J]. Food Science,2012,33(8):244-247.