ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2015,Vol.31>> Issue(5)>> 893-898     doi: 10.3866/PKU.WHXB201503193         中文摘要
Norm Index-Based Quantitative Structure-Activity Relationship to Predict β-Cyclodextrin Complex Binding Constants
QIAN Hai-Cheng1, KANWAL Shahid1, JIA Qing-Zhu2, WANG Qiang1, JI Hui-Fen1, ZHU Zhi-Chen3, XIA Shu-Qian4, MA Pei-Sheng4
1 School of Material Science and Chemical Engineering, Tianjin University of Science and Technology, Tianjin 300457, P. R. China;
2 School of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457, P. R. China;
3 School of Science, Tianjin University of Urban Construction, Tianjin 300384, P. R. China;
4 School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, P. R. China
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Cyclodextrins (CDs) are widely used in the pharmaceutical industry, and the complex stability constant (logK) is an important evaluation target for CD inclusion complexes. In this work, the structures of the inclusion complexes of 233 compounds with β-cyclodextrin (β-CD) were investigated by the quantitative structure-activity relationship (QSAR) method based on a new set of norm indexes proposed by our group. Here, using several arithmetic approaches, a set of QSAR models based on these new norm indexes were developed to predict the logK values of the β-CD complexes. The results showed that all of the norm indexbased- QSAR models could predict logK well, and the best QSAR model was obtained using the least-squares support vector machine method with correlation coefficient (R), leave-one/ten-out validation correlation coefficient (QLOO and QLTO) values of 0.9587, 0.8775, and 0.8732, respectively. Comparison with other methods suggested that our method performed better for predicting the logK values of β-CD complexes in terms of both accuracy and stability, especially for the discrimination of isomer structures. The results of this and previous studies demonstrate that it might be possible to use the norm index-based model to predict not only the basic physical-chemical properties, but also the chemical reaction-related constants of organic compounds.

Keywords: β-cyclodextrin   Norm index   Complex stability constant   Ab initio method   Structure-activity relationship  
Received: 2015-02-09 Accepted: 2015-03-19 Publication Date (Web): 2015-03-19
Corresponding Authors: WANG Qiang Email:

Fund: The project was supported by the National Natural Science Foundation of China (21306137, U1162104).

Cite this article: QIAN Hai-Cheng, KANWAL Shahid, JIA Qing-Zhu, WANG Qiang, JI Hui-Fen, ZHU Zhi-Chen, XIA Shu-Qian, MA Pei-Sheng. Norm Index-Based Quantitative Structure-Activity Relationship to Predict β-Cyclodextrin Complex Binding Constants[J]. Acta Phys. -Chim. Sin., 2015,31 (5): 893-898.    doi: 10.3866/PKU.WHXB201503193

(1) Loftsson, T.; Ducheêne, D. Int. J. Pharm. 2007, 329, 1. doi: 10.1016/j.ijpharm.2006.10.044
(2) Brewster, M. E.; Loftsson, T. Adv. Drug Deliver Rev. 2007, 59, 645. doi: 10.1016/j.addr.2007.05.012
(3) Freudenberg, K.; Jacobi, R. Ann. Chem. 1935, 518, 102.
(4) Larsen, K. L. J. Incl. Phenom. Macrocycl. Chem. 2002, 43, 1. doi: 10.1023/A:1020494503684
(5) Hsu, C. M.; Tsai, F. J.; Tsai, Y. Carbohyd. Polym. 2014, 114, 115. doi: 10.1016/j.carbpol.2014.07.042
(6) Vyas, A.; Saraf, S. J. Incl. Phenom. Macrocycl. Chem. 2008, 62, 23. doi: 10.1007/s10847-008-9456-y
(7) Yang, S. G.; Chen, Q. D.; Shi, J. F.; Shen, X. H. Acta Phys. -Chim. Sin. 2010, 26 (4), 805. [杨士国, 陈庆德, 施建峰, 沈兴海. 物理化学学报, 2010, 26 (4), 805.] doi: 10.3866/PKU.WHXB20100407
(8) Avdeef, A.; Bendels, S.; Tsinman, O.; Tsinman, K.; Kansy, M. Pharm. Res. 2007, 24, 530. doi: 10.1007/s11095-006-9169-0
(9) Kim, C.; Park, J. Am. J. Drug Deliv. 2004, 2, 113. doi: 10.2165/00137696-200402020-00004
(10) Loftsson, T.; Jarho, P.; Masson, M.; Jarvinen, T. Expert Opin. Drug Deliv. 2005, 2, 335. doi: 10.1517/edd.2005.2.issue-2
(11) Szejtli, J.; Szente, L. Eur. J. Pharm. Biopharm. 2005, 61, 115. doi: 10.1016/j.ejpb.2005.05.006
(12) Lantz, A.; Rodriguez, M.; Wetterer, S.; Armstrong, D. Anal. Chim. Acta 2006, 557, 184. doi: 10.1016/j.aca.2005.10.005
(13) Loukas, Y. L. J. Pharm. Biomed. 1997, 275.
(14) Ogwu, S. O.; Alcala, M. J.; Bhardwaj, R.; Blanchard, J. J. Pharm. Biomed. Anal. 1999, 19, 391. doi: 10.1016/S0731-7085(98)00139-3
(15) Chen, J.; Ohnmacht, C. M.; Hage, D. S. J. Chromatogr. A 2004, 1033, 115. doi: 10.1016/j.chroma.2004.01.032
(16) Rundlett, K. L.; Armstrong, D.W. J. Chromatogr. A 1996, 721, 173. doi: 10.1016/0021-9673(95)00774-1
(17) Berglund, J.; Cedergren, L.; Andersson, S. B. Int. J. Pharm. 1997, 156, 195. doi: 10.1016/S0378-5173(97)00203-2
(18) Bellini, M. S.; Deyl, Z.; Manetto, G.; Kohlìcková, M. J. Chromatogr. A 2001, 924, 483. doi: 10.1016/S0021-9673(01)00775-0
(19) Junquera, E.; Aicart, E. J. Phys. Chem. B 1997, 101, 7163. doi: 10.1021/jp963977s
(20) Ono, N.; Hirayama, F.; Uekama, K. Eur. J. Pharm. Sci. 1999, 8, 133. doi: 10.1016/S0928-0987(99)00002-0
(21) Cirri, M.; Maestrelli, F.; Orlandini, S.; Furlanetto, S.; Pinzauti, S.; Mura, P. J. Pharm. Biomed. Anal. 2005, 37, 995. doi: 10.1016/j.jpba.2004.09.044
(22) Faucci, M. T.; Melani, F.; Mura, P. Chem. Phys. Lett. 2002, 358, 383. doi: 10.1016/S0009-2614(02)00410-4
(23) Melani, F.; Mura, P.; Adamo, M.; Maestrelli, F.; Gratteri, P.; Bonaccini, C. Chem. Phys. Lett. 2003, 370, 280. doi: 10.1016/S0009-2614(03)00126-X
(24) Loukas, Y. L.; Vraka, V.; Gregoriadis, G. Int. J. Pharm. 1996, 144, 225. doi: 10.1016/S0378-5173(96)04759-X
(25) Pérez-Garrido, A.; Helguera, A. M.; Guillén, A. A.; Cordeiro, M. N. D. S.; Escudero, A. G. Bioorg. Med. Chem. 2009, 17, 896. doi: 10.1016/j.bmc.2008.11.040
(26) Wang, Q.; Jia, Q. Z.; Yan, L. H.; Xia, S. Q.; Ma, P. S. Chemosphere 2014, 2, 30.
(27) Zhu, Z. C.; Wang, Q.; Jia, Q. Z.; Xia, S. Q.; Ma, P. S. Acta Phys. -Chim. Sin. 2014, 30 (6), 1086. [朱志臣, 王强, 贾青竹, 夏淑倩, 马沛生. 物理化学学报, 2014, 30 (6), 1086.] doi: 10.3866/PKU.WHXB201404161
(28) Zhu, Z. C.; Wang, Q.; Jia, Q. Z.; Tang, H. M.; Ma, P. S. Acta Phys. -Chim. Sin. 2013, 29 (1), 30. [朱志臣, 王强, 贾青竹, 汤红梅, 马沛生. 物理化学学报, 2013, 29 (1), 30.] doi: 10.3866/PKU.WHXB201210265
(29) Hyperchem. 7.0. Hypercube, Inc.: Gainesville, Florida.

1. JING Peng-Fei, LIU Hui-Jun, ZHANG Qin, HU Sheng-Yong, LEI Lan-Lin, FENG Zhi-Yuan.Kinetics and Thermodynamics of Adsorption of Benzil-Bridged β-Cyclodextrin on Uranium(VI)[J]. Acta Phys. -Chim. Sin., 2016,32(8): 1933-1940
2. ZHANG Shu-Zhen, ZHENG Chao, ZHU Chang-Jin.Molecular Docking and Receptor-Based 3D-QSAR Studies on Aromatic Thiazine Derivatives as Selective Aldose Reductase Inhibitors[J]. Acta Phys. -Chim. Sin., 2015,31(12): 2395-2404
3. LIU Hai-Chun, LU Shuai, RAN Ting, ZHANG Yan-Min, XU Jin-Xing, XIONG Xiao, XU An-Yang, LU Tao, CHEN Ya-Dong.Accurate Activity Predictions of B-Raf Type II Inhibitors via Molecular Docking and QSAR Methods[J]. Acta Phys. -Chim. Sin., 2015,31(11): 2191-2206
4. ZHU Zhi-Chen, WANG Qiang, JIA Qing-Zhu, XIA Shu-Qian, MA Pei-Sheng.Structure-Property Relationship for the Pharmacological and Toxicological Activity of Heterocyclic Compounds[J]. Acta Phys. -Chim. Sin., 2014,30(6): 1086-1090
5. YAO Wen-Zhi, YAO Jian-Bin, LI Xin-Bao, LI Si-Dian.B2Au20/-/2-: Multiple Boron-Boron Bonds in Diboron Aurides[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1219-1224
6. SUN Sang-Dun, MI Si-Qi, YOU Jing, YU Ji-Liang, HU Song-Qing, LIU Xin-Yong.HQSAR Study and Molecular Design of Benzimidazole Derivatives as Corrosion Inhibitors[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1192-1200
7. WANG Zhi-Ming, HAN Na, YUAN Zhe-Ming, WU Zhao-Hua.Feature Selection for High-Dimensional Data Based on Ridge Regression and SVM and Its Application in Peptide QSAR Modeling[J]. Acta Phys. -Chim. Sin., 2013,29(03): 498-507
8. SHAO Zhi-Cheng, SONG Le-Xin, TENG Yue, DANG Zheng, XIA Juan.Increased Water Solubility of Molybdenum Trioxide Induced by β-Cyclodextrin[J]. Acta Phys. -Chim. Sin., 2013,29(03): 460-466
9. KANG Cong-Min, ZHAO Xu-Hao, WANG Xin-Yu, CHENG Jia-Gao, LÜ Ying-Tao.QSAR and Molecular Docking on Five-Membered Heterocyclopyrimidines as Thymidylate Synthase Inhibitors[J]. Acta Phys. -Chim. Sin., 2013,29(02): 431-438
10. ZHU Zhi-Chen, WANG Qiang, JIA Qing-Zhu, TANG Hong-Mei, MA Pei-Sheng.Quantitative Structure-Property Relationship of the Critical Micelle Concentration of Different Classes of Surfactants[J]. Acta Phys. -Chim. Sin., 2013,29(01): 30-34
11. CHEN Wen-Long, LIU Hai-Chao.Relationship between the Structures of Metal Oxide Catalysts and Their Properties in Selective Oxidation of Methanol[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2315-2326
12. ZHOU Liang-Chun, MENG Xiang-Guang, LI Jian-Mei, HU Wei, LIU Bo, DU Juan.Kinetics and Thermodynamics of Adsorption of Chlorophenols onto β-Cyclodextrin Modified Chitosan[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1615-1622
13. ZHU Lin-Hong, SONG Le-Xin, CHEN Jie, YANG Jing, WANG Mang.Formation, Structure and Thermal Degradation of the Supramolecular Complex between β-Cyclodextrin and 18-Crown-6[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1579-1586
14. TAO Wan-Jun, LI Chen-Wen, YIN Zong-Ning.Design of Self-Emulsifying System Based on QSAR[J]. Acta Phys. -Chim. Sin., 2011,27(01): 71-77
15. DUAN Hong-Xia, WANG Rui-Gang, ZHANG Jian-Jun, DONG Yan-Hong, LIANG Xiao-Mei, WU Jing-Ping, WANG Dao-Quan.QSAR of Macrolactone Derivatives with Herbicidal Activity[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1065-1074
16. ZHANG Sheng-Hong, LIU Hai-Chao.Relationship between the Structures of Metal Oxide Catalysts and Their Properties in Selective Oxidation of Light Alkanes[J]. Acta Phys. -Chim. Sin., 2010,26(04): 895-907
17. HU Song-Qing, HU Jian-Chun, SHI Xin, ZHANG Jun, GUO Wen-Yue.QSAR and Molecular Design of Imidazoline Derivatives as Corrosion Inhibitors[J]. Acta Phys. -Chim. Sin., 2009,25(12): 2524-2530
18. CHEN Yuan, YUAN Zhe-Ming, ZHOU Wei, XIONG Xing-Yao.A Novel QSAR Model Based on Geostatistics and Support Vector Regression[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1587-1592
19. WEI Zhuo, ZHANG Huai, CUI Wei, JI Ming-Juan.Molecular Docking and 3D-QSAR on Maleimide Derivatives as Glycogen Synthase Kinase-3β Inhibitors[J]. Acta Phys. -Chim. Sin., 2009,25(05): 890-896
20. MEI Hu, LIU Li, YANG Li, LI Jian, YAN Ning, WANG Qin.Prediction of Antitumor Activities of Indolo[1,2-b]Quinazoline Derivatives Using Electrotopological State Indices for AtomTypes[J]. Acta Phys. -Chim. Sin., 2009,25(04): 747-751
21. JIANG Yu-Ren; QIN Wei.3D-QSAR Analysis on Benzoxazinone Derivatives[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1859-1863
22. FENG Chang-Jun; MU Lai-Long; YNAG Wei-Hua; CAI Ke-Ying.A Mathematical Model between Bioconcentration Factors and Topological Indices of Organic Pollutants[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1053-1057
23. SONG Zhe;LIU Tao;LIU Wei;ZHU Ming-Hua;WANG Xiao-Gang .The QSAR Model Study of Interaction Between Peptides and MHC molecules[J]. Acta Phys. -Chim. Sin., 2007,23(02): 198-205
24. TONG Jian-Bo;ZHANG Sheng-Wan.A New 3D-Descriptor of Amino Acids and Its Application in Quantitative Structure Activity Relationship of Peptide Drugs[J]. Acta Phys. -Chim. Sin., 2007,23(01): 37-43
25. TONG Jian-Bo;ZHOU Peng;ZHANG Sheng-Wan;LIANG Gui-Zhao;TIAN Fei-Fei;LI Mei-Ping;LI Sheng-Shi.QSAR Studies of Anti-HIV Drug HEPT Using 3D-HoVAIF[J]. Acta Phys. -Chim. Sin., 2006,22(06): 721-725
26. CHEN Jin-Can;LI Jun;WU Wen-Juan;ZHENG Kang-Cheng.Structures and Anticancer Activities of a Series of Isomeric Complexes Ru(azpy))2Cl)2[J]. Acta Phys. -Chim. Sin., 2006,22(04): 391-396
27. ZHOU Yuan;MEI Hu;LIANG Gui-Zhao;LI Zhi-Liang.Physicochemical Parameters of Substituents and Its Application in Quantitative Structure Activity Relationship for Drugs[J]. Acta Phys. -Chim. Sin., 2006,22(04): 486-491
28. LIANG Gui-Zhao; MEI Hu; ZHOU Peng; ZHOU Yuan; LI Zhi-Liang.Study on Quantitative Structure-Activity Relationship by 3D Holographic Vector of Atomic Interaction Field[J]. Acta Phys. -Chim. Sin., 2006,22(03): 388-390
29. QIAO Ying-xin; ZHOU Jia-ju.A 3D-QSAR Study with Energy of Molecular Orbitals on N-Aminoidazoles[J]. Acta Phys. -Chim. Sin., 2006,22(02): 209-214
30. ZHU Jun; NIU Yan; LÜ Wen; LEI Xiao-ping.Studies on Three-dimensional QSAR of Muscarinic Receptor Agonists[J]. Acta Phys. -Chim. Sin., 2005,21(11): 1259-1263
31. SHEN Bin; LU Zhong-hua; CHI Xue-bin; LÜ Hai-feng; REN Tian-rui.Research on Pseudoreceptor Models for the Inhibitors at GABA Receptors via Flexible Atom Receptor Model[J]. Acta Phys. -Chim. Sin., 2005,21(07): 800-803
32. HU Ya-Lan; HUANG Feng; JIANG Hui; FAN Chong-Xu; CHEN Chang-Ying; CHEN Ji-Sheng.Structure-Activity Relationship and Molecular Design ofα-conotoxins[J]. Acta Phys. -Chim. Sin., 2005,21(05): 474-478
33. HUANG Qin; HOU Ting -Jun; XU Xiao-Jie.The Prediction of Caco-2 Permeation Based on Genetic Algorithm[J]. Acta Phys. -Chim. Sin., 2005,21(04): 372-377
34. WU Wen-Juan;LAI Rong;ZHENG Kang-Cheng;YUN Feng-Cun.Quantitative Structure-Activity Relationship of Indolo[1,2-b]quinazoline Derivatives with Antitumor Activity[J]. Acta Phys. -Chim. Sin., 2005,21(01): 28-32
35. Mei Hu;Zhou Yuan;Sun Li-Li;Li Zhi-Liang.A New Descriptor of Amino Acids and Its Application in Peptide QSAR[J]. Acta Phys. -Chim. Sin., 2004,20(08): 821-825
36. Wang Bao-Lei;Ma Ning;Wang Jian-Guo;Ma Yi;Li Zheng-Ming;Li Yong-Hong.3D-QSAR Analysis of New Sulfonylureas Related to Their Herbicidal Activity[J]. Acta Phys. -Chim. Sin., 2004,20(06): 577-581
37. Ding Jun-Jie;Ding Xiao-Qin;Zhao Li-Feng;Chen Ji-Sheng.Three Dimensional Quantitative Structure-activity Relationship of Dihydropyridine Derivatives[J]. Acta Phys. -Chim. Sin., 2003,19(12): 1108-1113
38. Pan Yong-Mei;Ji Ming-Juan.Applications of Genetic Algorithms on 2D-QSAR Analysis of Benzofuran and Benzothiophene Biphenyls as PTP1B Inhibitors[J]. Acta Phys. -Chim. Sin., 2003,19(08): 695-700
39. Zhang Hua-Bei;Li Bo;Dai Mei.QSAR of [99Tcm(NO)Cl(PL)2] Complexes[J]. Acta Phys. -Chim. Sin., 2003,19(05): 460-463
40. Peng Tao;Pei Jian-Feng;Zhou Jia-Ju.Three-dimensional Quantitative Structure-Activity Relationship Study of Tyrosine Kinase Inhibitors[J]. Acta Phys. -Chim. Sin., 2003,19(02): 163-166
41. Zhu Li-Li;Xu Xiao-Jie.3D-QSAR Analyses of Melatonin Antagonists[J]. Acta Phys. -Chim. Sin., 2002,18(12): 1087-1092
42. Zou Xia-Juan;Lai Lu-Hua;Jin Gui-Yu;Huang Gui-Qin.Studies on the 3D-QSAR of Novel 1-aryl-1,4-dihydro-3-acylhydrazinocarbonyl-6-methyl- 4-pyridazinones[J]. Acta Phys. -Chim. Sin., 2002,18(06): 513-516
43. Huang Jin-Ling;Huang Jian-Dong;Liu Er-Sheng;Chen Nai-Sheng.Some Relationships between Structures and Photodynamic Anti-cancer Activities of Phthalocyanines[J]. Acta Phys. -Chim. Sin., 2001,17(07): 662-671
44. Chen Chang-Ying, Ding Xiao-Qin, Feng Shan.Studies on Electronic Structure and Structure-Activity Relationship of Ciguatoxin(CTX)[J]. Acta Phys. -Chim. Sin., 2000,16(04): 307-311
45. Hou Ting-Jun, Wu Zeng-Ru, Liao Ning, Li Zheng, Luo Hong-Peng, Hong Jia-Quan, Xu Xiao-Jie.Pharmacophore Model and 3D-QSAR Study of Two Kinds of HCVNS3 Serine Protease Inhibitors[J]. Acta Phys. -Chim. Sin., 2000,16(03): 196-201
46. Yang Guang-Fu, Liu Hua-Yin, Yang Xiu-Feng, Yang Hua-Zheng.CoMFA Studies on Herbicidal 1,2,4-Triazolo[1,5-a]pyrimidine-2-Sulfonanilides[J]. Acta Phys. -Chim. Sin., 1999,15(02): 190-192
47. Wang Ren-Xiao, Feng Ya-Bin, Lai Lu-Hua, Tang You-Qi.Structure-Affinity Relationship of lndole-Based for Phospholipase A2[J]. Acta Phys. -Chim. Sin., 1998,14(10): 893-897
48. Wang Ren-Xiao, Liu Liang, Lai Lu-Hua, Tang You-Qi.Structure-Affinity Relationship of Thrombin inhibitors[J]. Acta Phys. -Chim. Sin., 1998,14(10): 887-892
49. Wang Ren-Xiao, Li Wei-Zhong, Lai Lu-Hua, Tang You-Qi.Estimating Binding Affinities for Enzyme-Ligand Complexes[J]. Acta Phys. -Chim. Sin., 1998,14(09): 826-832
50. Huang Zhong-Ping, Pan Jin-Hong, Cai Guo-Qiang, Yu Qing-Sen, Lin Rui-Sen.Study on the Structure-Photosensitivity Relationship of Bis(4-dimethylaminophenyl)squaraine Derivatives[J]. Acta Phys. -Chim. Sin., 1998,14(06): 557-561
51. Wang Jin-Ling, Sun Ming, Su Hua-Qing, Miao Fang-Ming.3D-Quantitative Structure-Activity Relationship Studies of Imidazole-1-carboxylates[J]. Acta Phys. -Chim. Sin., 1998,14(05): 444-447
52. Wang Ren-Xiao, Gao Ying, Liu Liang, Lai Lu-Hua.Role of Compound Orientation in CoMFA Studies[J]. Acta Phys. -Chim. Sin., 1998,14(01): 1-4
53. Lin Li-Rong,Jiang Yun-Bao,Huang Xian-Zhi,Chen Guo-Zhen.A Study of the Interaction of Methyl β-CD with Cetyltrimethylammonium Bromide in Aqueous Solution[J]. Acta Phys. -Chim. Sin., 1997,13(08): 747-751
54. Chen Hong-Ming,Zhou Jia-Ju,Xie Gui-Rong,Ren Tian-Rui.A QSAR Research Method Based on Pseudoreceptor Model[J]. Acta Phys. -Chim. Sin., 1997,13(07): 626-631
55. Tian Sheng-Jun,Cheng Qing-Tang,Xi Guo-Xi,Lou Xiang-Dong,Li Jing-Hua.Preparation of Inclusion Complex of Benzyl Acetate with β-Cyclodextrin and Studies on its Thermal Dissociation[J]. Acta Phys. -Chim. Sin., 1997,13(05): 459-465
56. Lin Li-Ge,Jiang Yun-Bao,Du Xin-Zhen,Huang Xian-Zhi,Chen Guo-Zhen.Study of the Microenviroment of Methyl Modified β-cyclodextrin Cavity Using TICT Fluorescent Probe[J]. Acta Phys. -Chim. Sin., 1997,13(01): 83-85
57. Zhu Long-Guan, Yu Qing-Sen, Chen Kai-Xian, Cai Cuo-Qiang, Lin Rui-Sen.Study on the Quantitative Structure-activity Relationship of N1 Position of Quinolone[J]. Acta Phys. -Chim. Sin., 1995,11(10): 925-928
58. Luo Zhao-Wen, Wang Dan-Dan, Lai Lu-Hua, Xu Xiao-Jia, Li Chong-Xi.3D-QSAR Studies of Galanthamine and Analogs[J]. Acta Phys. -Chim. Sin., 1995,11(05): 419-423
59. Hao Ai-You, Tong Lin-Hui, Gao Xing-Ming, Zhang Fu-Sheng.Studies for the Molecular Recognition Abilities of β-Naphthoated β-Cyclodextrin(β-CD) Derivatives[J]. Acta Phys. -Chim. Sin., 1995,11(03): 202-205
60. Feng Jun, Zhou Jia-Ju, Li Ren-Li.Comparative Molecular Field Analysis of Inotropic Compounds and Pyridazinone[J]. Acta Phys. -Chim. Sin., 1995,11(03): 206-210
61. LU Yang.Recent Progress in Facet Effect of TiO2 Photocatalysts[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
62. LIN Feng, FU Xin-Mei, WANG Chao, JANG Si-Yu, WANG Jing-Hui, ZHANG Shu-Wei, YANG Ling, LI Yan.QSAR, Molecular Docking and Molecular Dynamics on 3C-like Protease Inhibitors[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
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