[1] Hansch C, Leo A. Exploring QSAR. J. Am. Chem. Soc. 1997,97:2552-2556. [2] Charton M, Murray W J. Steric effects. Base catalysed ester hydrolysis. J. Am. Chem. Soc. 1997,97:3691-3693. [3] Verloop A. Development and application of new steric substituent parameters in drug design. Drug design. 1976,58:165-207. [4] Randic M. On characterization of molecular Branching. J. Am. Chem. Soc. 1975,97:6609-6615. [5] Kier, L. B, Hall L H, Randic, M. Molecular connectivity 1: Relationship to nonspecific local anesthesia. J. Pharm. Sci. 1975,64:1971-1974. [6] Kier L. B, Murray, W. J, Hall, L H. Molecular connectivity 4: Relationship to biological activity. J. Med. Chem. 1975,18:1272-1274. [7] Randic, M. Molecular profiles. Novel geomytry-dependent molecular descriptors. New J. Chem. 1995,19:781-791. [8] Gasteiger J. MS-WHIM scores for amino acids: A new 3D-description for peptide QSAR and QSPR studies. J. Chem. Inf. Comput. Sci. 1999,39:525-533. [9] Karelson M. Quantum-chemical descriptors in QSAR/QSPR studies. Chem. Rev. 1996,96:1027-1043. [10] 许禄.化学计量学方法.北京:科学出版社.1995.62-71. [11] Geladi, P.; Kowalski, B. R. Partial least-square regression: a tutorial. Anal. Chem. Acta. 1986,185:1-17. [12] Baroni M, Clementi S, Cruciani G. Predictive ability of regression models part 2: selection of the best predictive PLS model. J. Chemometr. 1992,6:347-356. [13] Tmej C, Schaad L. compatibility of the Free-Wilson and Hansch quantitative structure-activity relations. J. Med. Chem. 1981,24:900-902. [14] Hansch C. Strategy in drug design. Cluster analysis as an aid in the selection of substituent. J. Med. Chem. 1973,16:1217-1222. [15] Cruciani G, Watson K A. Comparative molecular field analysis using GRID force field and GOLPE variable selection methods in a study of inhibitors of glycogen. J. Med. Chem. 1994,37:2589-2601. [16] Kovesdi I, Manallack D T. Application of neural network s in structure activity relationships. Med. Res. Rev. 1999,19:249-269. [17] Rogers D, Hopfinger A J. application of GFA to QSAR and QSP. J. Chem. Soc. 1994,34:854-866.
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