[1] TING L C ，SUNG-SAU S. Development of neural network QSPR models for Hansch substituent constants 1：method and validations[J] . J Chem Inf Comput Sci，2004，44 (1)：147-153. [2] MITCHELL A，AVERY，KANNOTH M，et al. Structure-activity relationships of the antimalarial agent artemisinin. 8. Design，synthesis，and CoMFA studies toward the development of artemisinin-based drugs against leishmaniasis and malaria[J] . J Med Chem，2003，46 (20)：4244 -4258. [3] MAHRAN M A，EI-SUBBAGH H I ，Al-Obaid A M. Molecular shape analysis for quantitative drug design[J] . Saudi Pharmaceutical J，1999，7(4)：159-172. [4] SUBHASH A，KAMALAKAR J，SUDHIR A，et al. Three-dimensional QSAR using the k-nearest neighbor method and its interpretation[J] . J Chem Inf Model，2006，46 (1)：24-31. [5] POLANSKI J，GIELECIAK R，BAK A. The comparative molecular surface analysis (COMSA)-A nongrid 3D QSAR method by a coupled neural network and PLS system： Predicting pKa values of benzoic and alkanoic acids[J] . J Chem Inf Comput Sci, 2002,42 (2)：184-191 . [6] ROBINSON D D，WINN P J，LYNE P D，et al. Self-organizing molecular field analysis： A tool for structure-activity studies[J] . J Med Chem，1999，42 (4)：573-583. [7] YI P，QIU M H，SUN H D. 3D QSAR studies on cytotoxin actives of ent-kauranoids from Isodon xerophilus (Labiatae) by CoMFA[J] . Acta Botanica Yunnanica，2006，28(1)：95-99. [8] ZHU Q Q，GUO R Z，HUANG L，et al. Study on 3D quantitative structure-activity relationships of taxoid[J] . Chin Chem Letters，1997，8(10)：893-896. [9] SHI B X，LIANG S L，YUAN Y J，et al. Studies on the quantitative structure-activity relationships of Paclitaxel analogues[J] . Chem J Chin Univ(高等学校化学学报)，2000，21(3)：401-406. [10] LIU B，SHI B X，YUAN Y J，et al. Development and application of 3D-quantitative structure-activity relationship model of Paclitaxel Analogues[J] . J TianJin Univ(天津大学学报)，2000，33(1)：51-55. [11] ZHU W L，CHEN G，HU L H，et al. QSAR analyses on ginkgolides and their analogues using CoMFA，CoMSIA，and HQSAR[J] . Bioorg Med Chem，2005，13 (2)：313-322. [12] CHEN J Z，HU L H，JIANG H L，et al. A 3D-QSAR study on ginkgolides and their analogues with comparative molecular field analysis[J] . Bioorg Med Chem Lett，1998，8(11)：1291-1296. [13] HUANG N，WANG M M，CHU F M，et al. Studies on the structure activity relationship of Retinoids： 3D-QSAR of Retinoidal anti-carcinogenic activities[J] . Acta Pharm Sin(药学学报)，1996，31(12)：932-939. [14] HUANG N，WANG M M，CHU F M，et al. 3D-QSAR studies on Retinoids of anticarcinogenic activity[J] . J Chin Pharm Sci(中国药学英文版)，1996，5(3)：121-127. [15] WANG M M，HUANG N，YANG G Z，et al. Study on the structure activity relationships of retinoids：II. 3D-QSAR of retinoids and receptor interaction[J] . Acta Pharm Sin(药学学报)，1997，32(1)：43-48. [16] LI H，XU L，SU Q，et al. Three dimensional quantitative structure activity relationship studies of some steroids and their anti-inflammatory activities[J] . Computers Applied Chem(计算机与应用化学)，1997，14(1)：27-30. [17] HE F，LIU Z C，LUO Y F，et al. QSAR study of Podophyllotoxin derivatives as potential antitumor drugs[J] . Chin J Cancer(中国癌症杂志)，2001，20(4)：368-372. [18] LI W，YI X，XIAO P G，et al. 3D-QSAR study of Schizandrins for anti-HIV using comparative molecular similarity indices analysis[J] . Acta Chim Sin(化学学报)，2002，60(7)：1311-1317. [19] GU Y，CHEN M B，DONG X C，et al. 3D-QSAR studies of Saponins[J] . Acta Chin Sin(化学学报)，2000，58(12)：1534-1539. [20] MORITA H，AWANG K，HADI A H A，et al. Conformational analysis of rhazinilam and three-dimensional quantitative structure-activity relationships of rhazinilam analogues[J] . Bioorg Med Chem Lett，2005，15(4)：1045-1050. [21] ZHU J，ZHANG W N，JI H T，et al. Comparative molecular field analysis (CoMFA) of camptothecin analogs[J] . Chin J Med Chem(中国药物化学杂志)，1999，9(4)：277-284. [22] LIU C P，LI H Y，ZHANG H B. CoMFA and CoMSIA studies of the Epibatidine analogues[J] . J Beijing Normal Univ(Natural Science)[(北京师范大学学报(自然科学版)] ，2004，40(2)：237-242. [23] GAO W，XU X，LI W H，et al. QSAR studies of 4-substitution podophyllotoxin derivative[J] . J Mathematical Med(数理医药学杂志)，2001，14(6)：536-537. [24] ZHANG L W，ZHAO C G，YANG P. Study on the antioxidant activity and structure activity relationship of forsythiaside[J] . Chin Pharm J(中国药学杂志)，2003(38)：334-336. [25] XU X，XU Z G，LUO Y F，et al. Study on the quantitative structure-activity relationships of 10-oac-paclitaxel analogues[J] . Chin J Med chemistry(中国药物化学杂志)，2001，11(6)：317-321. [26] ZHU J，ZHANG W N，ZHOU Y J，et al. Study on the influence of the grids production and selection upon CoMFA result[J] . Chin Pharm J(中国药学杂志)，1999，34(6)：417-420. [27] TOMINAGA Y，FUJIWARA I. Novel 3D descriptors using excluded volume：application to 3D quantitative structure-activity relationships[J] . J Chem Inf Comput Sci，1997，37 (6)：1158-1161. [28] TOMINAGA Y，FUJIWARA I. Prediction-weighted partial least-squares regression method(PWPLS) 2： Application to CoMFA[J] . J Chem Inf Comput Sci，1997，37 (6)： 1152-1157. [29] XU L，YANG J A，WU Y P. Effective Descriptions of Molecular Structures and the Quantitative Structure-Activity Relationship Studies[J] . J Chem Inf Comput Sci，2002，42(3)： 602-606. [30] BRADLEY M，WALLER C L. Polarizability fields for use in three-dimensional quantitative structure-activity relationship(3D-QSAR)[J] . J Chem Inf Comput Sci，2001，41(5)：1301-1307.