Martin Y. C., 1998, Perspect. Drug Discov., 12, 23
Norinder U, 1998, Perspect. Drug Discov., 12, 39
Maddalena D. J, 1998, Expert Opin. Ther. Pat., 8, 258, 10.1517/13543776.8.3.249
Kubinyi H, 1997, Drug Discov. Today, 2, 546
Hansch C., 1995, Classical and Three-Dimensional QSAR in a Agrochemistry, 12, 10.1021/bk-1995-0606
Hansch C., 1995, Fundamentals and Applications in Chemistry and Biology
Stuper A. J., 1979, Computer-assisted Studies of Chemical Structure and Biological Function
Kier L. B., 1986, Molecular Connectivity in Structure-Activity Analysis
Murray J. S., 1994, Quantitative Treatments of Solute/Solvent Interactions, 289
Hilal S. H., 1994, Quantitative Treatments of Solute/Solvent Interactions, 353
Abraham M. H., 1994, Quantitative Treatments of Solute/Solvent Interactions, 133
Abraham M. H., 1995, J. Chem. Soc., Perkin Trans. 2, 887, 894
Katritzky A. R., 1995, Chem. Soc. Rev., 279, 287
Randic M., 1996, From Chemical Topology to Three-Dimensional Geometry, 236
Balaban A. T, 1997, J. Chem. Inf Comput. Sci., 37, 650
Lucic B., 1999, J. Chem. Inf. Comput. Sci., 39, 132
Jurs P. C., 1978, DC, 112, 129
Karelson M., 1999, Collect. Czech. Chem. Commun., 64, 1571, 10.1135/cccc19991551
Karelson M., 1996, Chem. Rev., 96, 1043, 10.1021/cr950202r
Kier L. B., 1976, Molecular Connectivity in Chemistry and Drug Research
Trinajstic N., 1983, Chemical Graph Theory
Bonchev D., 1983, Information Theoretic Indices for Characterization of Chemical Structure
Kaliszan R., 1987, Quantitative Structure-Chromatographic Retention Relationships
Merrifield R. E., 1989, Topological Methods in Chemistry
Rouvray D. H., 1990, Computational Chemical Graph Theory
Myers R. H., 1989, Classical and Modern Regression with Applications
Draper N. R., 1981, Applied Regression Analysis
Malinowski E. R., 1980, Factor Analysis in Chemistry
Strouf O., 1986, Chemical Pattern Recognition
Meloun M., 1992, Chemometrics in Analytical Chemistry
Zupan J., 1993, Neural Networks for Chemists
Mitchell T. M., 1997, Machine Learning
Gini G., 1998, Chemometr. Intell. Lab., 43, 145, 10.1016/S0169-7439(98)00125-7
Langmuir, 1925, I. The Distribution and Orientation of Molecules. Colloid Symp. Monogr.
Hermann R. B, 1972, J. Phys. Chem., 76, 2759, 10.1021/j100663a023
Rechsteiner C., 1982, Handbook of Chemical Property Estimation Methods
Horvath A. L., 1992, Molecular Design: Chemical Structure Generation from the Properties of Pure Organic Compounds
Wiener H, 1947, J. Am. Chem. Soc., 69, 20, 10.1021/ja01193a006
Katritzky A. R., 1996, J. Phys. Chem., 100, 10407, 10.1021/jp953224q
Katritzky A. R., 1998, J. Chem. Inf. Comput. Sci., 38, 41
Plavsic D., 1998, New J. Chem., 1075, 1078
Bünz A. P., 1998, Ind. Eng. Chem. Res., 37, 3051
Liu S., 1998, J. Chem. Inf. Comput. Sci., 38, 394
Grigoras S, 1990, J. Comput. Chem., 11, 510, 10.1002/jcc.540110408
Stanton D. T., 1990, Anal. Chem., 62, 2329, 10.1021/ac00220a013
Stanton D. T., 1991, J. Chem. Inf. Comput. Sci., 31, 301, 10.1021/ci00002a017
Stanton D. T., 1992, J. Chem. Inf. Comput. Sci., 32, 316
Egolf L. M., 1994, J. Chem. Inf. Comput. Sci., 34, 956, 10.1021/ci00020a032
Wessel M. D., 1995, J. Chem. Inf. Comput. Sci., 35, 850
Basak A. C., 1996, J. Chem. Inf. Comput. Sci., 36, 1060, 10.1021/ci960024i
Murugan R., 1994, CHEMTECH, 24, 23
Katritzky A. R., 1996, Rev. Roum. Chim., 41, 867
Ivanciuc O., 1998, Tetrahedron, 54, 9142, 10.1016/S0040-4020(98)00550-X
Cherqaoui D., 1994, J. Chem. Soc., Faraday Trans., 90, 102
Cherqaoui D., 1994, J. Chem. Soc., Faraday Trans., 90, 2019
Balaban A. T., 1992, J. Chem. Inf. Comput. Sci., 32, 247
Egolf L. M., 1993, J. Chem. Inf. Comput. Sci., 33, 625, 10.1021/ci00014a015
Zhang R., 1997, Comput. Chem., 21, 341, 10.1016/S0097-8485(96)00037-X
Liu S., 1997, J. Chem. Inf. Comput. Sci., 37, 1151
Hall L. H., 1996, J. Chem. Inf. Comput. Sci., 36, 1014
Wessel M. D., 1995, J. Chem. Inf. Comput. Sci., 35, 76
Gakh A. A., 1994, J. Chem. Inf. Comput. Sci., 34, 839
Katritzky A. R., 1998, J. Chem. Inf. Comput. Sci., 38, 299
Turner B. E., 1998, J. Chem. Inf. Comput. Sci., 38, 645, 10.1021/ci9800054
Politzer P., 1981, Chemical Applications of Atomic and Molecular Electrostatic Potentials, 10.1007/978-1-4757-9634-6
Murray J. S., 1993, J. Phys. Chem., 97, 9373
Katritzky A. R., 1998, J. Chem. Inf. Comput. Sci., 38, 725
Chastrette M., 1994, C. R. Acad. Sci. II, 318, 1065
Basak S. C., 1997, J. Chem. Inf. Comput. Sci., 37, 655, 10.1021/ci960176d
Liang C., 1998, J. Chem. Inf. Comput. Sci., 38, 324, 10.1021/ci970289c
Egolf L. M., 1992, Ind. Eng. Chem. Res., 31, 1807, 10.1021/ie00007a027
Mitchell B. E., 1997, J. Chem. Inf. Comput. Sci., 37, 547, 10.1021/ci960175l
Tetteh J., 1996, Chemometr. Intell. Lab. Syst., 32, 191, 10.1016/0169-7439(95)00088-7
Tetteh J., 1998, Chemometr. Intell. Lab., 41, 29, 10.1016/S0169-7439(98)00035-5
Karelson M., 1999, Comput. Chem., 23, 59, 10.1016/S0097-8485(98)00029-1
Katritzky A. R., 1998, J. Chem. Inf. Comput. Sci., 38, 844
Katritzky A. R., 1997, J. Chem. Inf. Comput. Sci., 37, 919
Charton M., 1994, J. Phys. Org. Chem., 7, 206, 10.1002/poc.610070406
Gramatica P., 1998, Chemometr. Intell. Lab., 40, 63, 10.1016/S0169-7439(97)00079-8
Leo A. J, 1993, Chem. Rev., 93, 1306
Sangster J., 1997, Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry, 2
Mannhold R., 1998, Quant. Struct.-Act. Relat., 17, 536, 10.1002/(SICI)1521-3838(199812)17:06<517::AID-QSAR517>3.0.CO;2-L
Buchwald P., 1998, Curr. Med. Chem., 5, 380, 10.2174/0929867305666220319102516
Fujita T., 1964, J. Am. Chem. Soc., 86, 5180, 10.1021/ja01077a029
Nys G. G., 1973, Chim. Ther., 8, 535
Nys G. G., 1974, Chim. Ther., 9, 375
Rekker R. F., 1979, Eur. J. Med. Chem., 14, 488
Rekker R. F., 1992, Calculation of Drug Lipohilicity. The Hydrophobic Fragmental Constant Approach
Hansch C., 1979, Substituent Constants for Correlation Analysis in Chemistry and Biology
Leo A., 1990, Comprehensive Medicinal Chemistry, 4, 319
Broto P., 1984, Eur. J. Med. Chem., 19, 78
Ghose A. K., 1986, J. Comput. Chem., 7, 577, 10.1002/jcc.540070419
Ghose A. K., 1988, J. Comput. Chem., 9, 90, 10.1002/jcc.540090111
Viswanadhan V. N., 1989, J. Chem. Inf. Comput. Sci., 29, 172, 10.1021/ci00063a006
Ghose A. K., 1998, J. Phys. Chem. A, 102, 3772, 10.1021/jp980230o
Suzuki T., 1990, J. Comput.-Aided Mol. Des., 4, 198, 10.1007/BF00125317
Wang R., 1997, J. Chem. Inf. Comput. Sci., 37, 621
Klopman G., 1991, J. Comput. Chem., 12, 1032, 10.1002/jcc.540120815
Klopman G., 1994, J. Chem. Inf. Comput. Sci., 34, 781
Meylan W. M., 1995, J. Pharm. Sci., 84, 92, 10.1002/jps.2600840120
Kamlet M. J., 1977, J. Am. Chem. Soc., 99, 6038, 10.1021/ja00460a031
Kamlet M. J., 1983, J. Org. Chem., 48, 2887, 10.1021/jo00165a018
Kamlet M. J., 1988, J. Phys. Chem., 92, 5255, 10.1021/j100329a035
Luehrs D. C., 1998, Adv. Environ. Res., 2, 185
Famini G. R., 1989, Using Theoretical Descriptors in Quantitative Structure-Activity Relationships, 10.1109/IEMBS.1989.96515
Famini G. R., 1992, J. Phys. Org. Chem., 5, 405, 10.1002/poc.610050704
Camilleri P., 1988, J. Chem. Soc., Perkin Trans. 2, 1699, 1707
Masuda T., 1997, J. Pharm. Sci., 86, 63, 10.1021/js960237m
Brinck T., 1993, J. Org. Chem., 58, 7073, 10.1021/jo00077a028
Murray J. S., 1994, J. Mol. Struct. THEOCHEM, 307, 64, 10.1016/0166-1280(94)80117-7
Du Q., 1996, J. Comput.-Aided Mol. Des., 10, 144
Sasaki Y., 1991, J. Pharmacobiol.-Dyn., 14, 214, 10.1248/bpb1978.14.207
Klopman G., 1981, J. Comput. Chem., 2, 160, 10.1002/jcc.540020204
Klopman G., 1985, J. Comput. Chem., 6, 38
Bodor N., 1989, J. Am. Chem. Soc., 111, 3786
Bodor N., 1992, J. Pharm. Sci., 81, 281
Kantola A., 1991, J. Comput. Chem., 12, 689, 10.1002/jcc.540120605
Moriguchi I., 1992, Chem. Pharm. Bull., 40, 130
Moriguchi I., 1994, Chem. Pharm. Bull., 42, 978, 10.1248/cpb.42.976
Grombar V. K., 1996, J. Chem. Inf. Comput. Sci., 36, 1134
Bodor N., 1997, J. Phys. Chem. B, 101, 3412, 10.1021/jp9638503
Edward J. T, 1998, Can. J. Chem., 76, 1303, 10.1139/v98-162
Waller C. L, 1994, Quant. Struct.-Act. Relat., 13, 176, 10.1002/qsar.19940130208
Grunenberg J., 1995, J. Chem. Inf. Comput. Sci., 35, 911, 10.1021/ci00027a018
Breindl A., 1997, J. Mol. Model., 3, 155, 10.1007/s008940050027
Devillers J., 1996, Neural Networks in QSAR and Drug Design
Rekker R. F., 1993, Quant. Struct.-Act. Relat., 12, 157, 10.1002/qsar.19930120207
Mannhold R., 1995, J. Pharm. Sci., 84, 1419, 10.1002/jps.2600841206
Mannhold R., 1996, Quant. Struct.-Act. Relat., 15, 409, 10.1002/qsar.19960150506
Hansch C., 1968, J. Org. Chem., 33, 350, 10.1021/jo01265a071
Banerjee S., 1980, Environ. Sci. Technol., 14, 1229, 10.1021/es60170a013
Mackay D., 1980, Chemosphere, 9, 712
Miller M. M., 1985, Environ. Sci. Technol., 19, 529, 10.1021/es00136a008
Yalkowsky S. H., 1979, J. Chem. Eng. Data, 24, 129, 10.1021/je60081a021
Isnard P., 1989, Chemosphere, 18, 1853, 10.1016/0045-6535(89)90468-2
Krop H. B., 1997, Chemosphere, 34, 119
Yalkowsky S. H., 1992, Methods of Estimation for Organic Compounds
Yalkowsky S. H., 1979, Ind. Eng. Chem. Fundam., 18, 353
Dunnivant F. M., 1992, Environ. Sci. Technol., 26, 1573, 10.1021/es00032a013
Amidon G. L., 1975, J. Phys. Chem., 79, 2246, 10.1021/j100588a008
Kamlet M. J., 1987, J. Phys. Chem., 91, 2004, 10.1021/j100291a062
Yalkowsky S. H, 1993, Chemosphere, 26, 1261, 10.1016/0045-6535(93)90179-9
Klopman G., 1992, J. Chem. Inf. Comput. Sci., 32, 482, 10.1021/ci00009a013
Suzuki T, 1991, J. Comput.-Aided Mol. Des., 5, 166, 10.1007/BF00129753
Myrdal P. B., 1995, Chemosphere, 30, 1637, 10.1016/0045-6535(95)00026-5
Nirmalakhandan N. N., 1988, Environ. Sci. Technol., 22, 338, 10.1021/es00168a015
Li A., 1994, Chemosphere, 29, 669
Kan A. T., 1996, Environ. Sci. Technol., 30, 1376
Patil G. S, 1991, Chemosphere, 22, 738, 10.1016/0045-6535(91)90049-J
Patil G. S, 1994, J. Hazard. Mater., 36, 43, 10.1016/0304-3894(93)E0049-8
Bodor N., 1992, J. Pharm. Sci., 81, 960
Nelson T. M., 1994, J. Chem. Inf. Comput. Sci., 34, 609, 10.1021/ci00019a019
Sutter J. M., 1996, J. Chem. Inf. Comput. Sci., 36, 107, 10.1021/ci9501507
Huibers P. H. T., 1998, J. Chem. Inf. Comput. Sci., 38, 292
Ruelle P., 1997, J. Pharm. Sci., 86, 186, 10.1021/js9603109
Ruelle P., 1997, J. Chem. Soc., Faraday Trans., 93, 2052, 10.1039/a607291g
Nouwen J., 1996, Quant. Struct.-Act. Relat., 15, 30, 10.1002/qsar.19960150105
Bodor N., 1991, J. Am. Chem. Soc., 113, 9483, 10.1021/ja00025a009
Bodor N., International Journal of Quantum Chemistry: Quantum Chemistry Symposium, 867
Huuskonen J., 1997, J. Pharm. Sci., 86, 454, 10.1021/js960358m
Huuskonen J., 1998, J. Chem. Inf. Comput. Sci., 38, 456, 10.1021/ci970100x
Mitchell B. E., 1998, J. Chem. Inf. Comput. Sci., 38, 496
Mackay D., 1981, J. Phys. Chem. Ref. Data, 10, 1199, 10.1063/1.555654
Abraham M. H., 1994, J. Chem. Soc., Perkin Trans. 2, 1777, 1791
Staudinger J., 1996, Crit. Rev. Environ. Sci. Technol., 26, 297, 10.1080/10643389609388492
Hine H., 1975, J. Org. Chem., 40, 298, 10.1021/jo00891a007
Cabani S., 1981, J. Solution Chem., 10, 595, 10.1007/BF00646936
Nirmalakhandan N. N., 1988, Environ. Sci. Technol., 22, 1357, 10.1021/es00176a017
Horvath, A. L.Halogenated Hydrocarbons; Marcel Dekker: New York, 1982.
Russell C. J., 1992, Anal. Chem., 64, 1355, 10.1021/ac00037a009
Katritzky A. R., 1996, J. Chem. Inf. Comput. Sci., 36, 1168
Reichardt C., 1988, Solvents and Solvent Effects in Organic Chemistry, 2
Koppel I. A., 1972, Advances in Linear Free Energy Relationships, 280
Sandström M., 1990, Acta Chem. Scand., 44, 675, 10.3891/acta.chem.scand.44-0653
Marcus Y, 1993, Chem. Soc. Rev., 409, 416
Politzer P., 1994, Quantitative Treatments of Solute/Solvent Interactions Theoretical and Computational Chemistry
Katritzky A. R., 1997, J. Chem. Inf. Comput. Sci., 37, 761
Mu L., 1998, J. Chem. Soc., Perkin Trans. 2, 159, 167
Katritzky A. R., 1999, J. Chem. Inf. Comput. Sci., 39, 691
Katritzky A. R., 1999, Chem. Inf. Comput. Sci., 39, 698
Eiceman A. G., 1998, Anal. Chem., 70, 339R, 10.1021/a1980016l
Bartle K. D., 1981, Chromatographia, 14, 72
Whalen-Pedersen E. K., 1981, Anal. Chem., 53, 2187, 10.1021/ac00237a009
Doherty P. J., 1984, Anal. Chem., 56, 2701, 10.1021/ac00278a017
Mihara S., 1985, J. Chromatogr., 324, 430, 10.1016/S0021-9673(01)81342-X
Osmialowski K., 1985, J. Chromatogr., 346, 60, 10.1016/S0021-9673(00)90493-X
Osmialowski K., 1986, J. Chromatogr., 361, 69, 10.1016/S0021-9673(01)86894-1
Rohrbaugh R. H., 1986, Anal. Chem., 58, 1212, 10.1021/ac00297a052
Mihara S., 1987, J. Chromatogr., 402, 317, 10.1016/0021-9673(87)80029-8
Rohrbaugh R. H., 1988, Anal. Chem., 60, 2253, 10.1021/ac00171a018
Robbat A., 1988, Anal. Chem., 60, 985, 10.1021/ac00168a729
Heinzen V. E. F., 1996, J. Chromatogr., A, 719, 467
Payares P., 1997, J. Chromatogr., A, 771, 219, 10.1016/S0021-9673(97)00122-2
Zenkevich I. G, 1998, J. Anal. Chem., 53, 40
Michotte Y., 1977, J. Pharm. Sci., 66, 1632, 10.1002/jps.2600661134
Bonchev D., 1979, J. Chromatogr., 176, 156, 10.1016/S0021-9673(00)85645-9
Kier L. B., 1979, J. Pharm. Sci., 68, 122, 10.1002/jps.2600680144
Duvenbeck, 1993, J. Chem. Inf. Comput. Sci., 33, 219
Duvenbeck, 1993, J. Chem. Inf Comput. Sci., 33, 230
Stanton D. T., 1989, Anal. Chem., 61, 1332, 10.1021/ac00188a007
Georgakopoulos C. G., 1991, Anal. Chem., 63, 2024
Georgakopoulos C. G., 1991, Anal. Chem., 63, 2028, 10.1021/ac00018a025
Buydens L., 1983, Anal. Chem., 55, 744, 10.1021/ac00255a034
Katritzky A. R., 1994, Anal. Chem., 66, 1807, 10.1021/ac00083a005
Lucic B., 1999, J. Chem. Inf. Comput. Sci., 39, 621
Donovan W. H., 1996, J. Chem. Soc., Perkin Trans. 2, 83, 89
Woloszyn T. F., 1992, Anal. Chem., 64, 3063, 10.1021/ac00047a031
Bruchmann A., 1993, Anal. Chim. Acta, 283, 880, 10.1016/0003-2670(93)85300-9
Sutter J. M., 1997, Anal. Chim. Acta, 342, 122, 10.1016/S0003-2670(96)00578-8
Pompe M., 1997, Anal. Chim. Acta, 348, 221, 10.1016/S0003-2670(97)00288-2
Kohonen T., 1988, Self-Organization and Associative Memory, 10.1007/978-3-662-00784-6
Pompe M., 1999, J. Chem. Inf Comput. Sci., 39, 67, 10.1021/ci980036z
Scanlon J. T., 1985, J. Chromatogr. Sci., 23, 340, 10.1093/chromsci/23.8.333
Jelali-Heravi M., 1998, J. Chromatogr., A, 825, 169
Huibers P. D. T., 1996, Langmuir, 12, 1470
Huibers P. D. T., 1997, J. Colloid Interface Sci., 187, 120
Huibers P. D. T., 1997, J. Colloid Interface Sci., 193, 136
Bicerano J., 1996, Prediction of Polymer Properties, 2
Katritzky A. R., 1996, J. Chem. Inf. Comput. Sci., 36, 884
Katritzky A. R., 1998, J. Chem. Inf. Comput. Sci., 38, 304
Camelio P., 1995, Polym. Repr. Am. Chem. Soc., Div. Polym. Chem., 36, 662
Tan T. T. M., 1996, Macromol. Theor. Simulat., 5, 475
Cypcar C. C., 1996, Macromolecules, 29, 8959, 10.1021/ma961170s
Camelio P., 1997, J. Polym. Sci. Polym. Chem., 35, 2590, 10.1002/(SICI)1099-0518(19970930)35:13<2579::AID-POLA5>3.0.CO;2-M
Rogers D., 1994, J. Chem. Inf. Comput. Sci., 34, 866
Luke B. T, 1994, J. Chem. Inf. Comput. Sci., 34, 1287
Ulmer C. W., 1998, Comput. Theor. Polym., 8, 321
Joyce S. J., 1995, J. Chem. Soc., Farady Trans., 91, 2496, 10.1039/ft9959102491
Katritzky A. R., 1998, J. Chem. Inf. Comput. Sci., 38, 1176
Ignatz-Hoover F., 1999, Rubber Chem. Technol.
