Johnson M., 1990, Concepts and Applications of Molecular Similarity
Walters W. P., 1998, Drug Discovery Today, 3, 178, 10.1016/S1359-6446(97)01163-X
Kuntz I. D, 1992, Science, 257, 1082, 10.1126/science.257.5073.1078
Antel J, 1999, Curr. Opin. Drug Discoery Dev., 2, 233
Gane P. J., 2000, Curr. Opin. Struct. Biol., 10, 404
Livingstone D. J, 2000, J. Chem. Inf. Comput. Sci., 40, 209, 10.1021/ci990162i
Xue L., 2000, Comb. Chem. High Throughput Screening, 3, 372
Glen W. G., 1989, Tetrahedron Comput. Methodol., 2, 376
Pearlman R. S., 1998, Perspect. Drug Discovery Des., 9, 353
Pearlman R. S., 1999, J. Chem. Inf. Comput. Sci., 39, 35, 10.1021/ci980137x
Barnard J. M., 1992, J. Chem. Inf. Comput. Sci., 32, 649, 10.1021/ci00010a010
Mason J. S., 1997, Perspect. Drug Discovery Des., 7, 114
Bayley M. J., 1999, J. Mol. Graphics Modell., 17, 18, 10.1016/S1093-3263(99)00016-9
Ward J. H, 1963, J. Am. Stat. Assoc., 58, 244
Jarvis R. A., 1973, Clustering using a similarity measure based on shared nearest neighbors
Barnard J. M, 1993, J. Chem. Inf. Comput. Sci., 33, 538, 10.1021/ci00014a001
James C. A., 1995, Daylight theory manual
McGregor M. J., 1997, J. Chem. Inf. Comput. Sci., 37, 448, 10.1021/ci960151e
Willett P., 1998, J. Chem. Inf. Comput. Sci., 38, 996, 10.1021/ci9800211
Sheridan R. P., 1996, J. Chem. Inf. Comput. Sci., 36, 136, 10.1021/ci950275b
Martin Y. C., 1992, J. Med. Chem., 35, 2154
Pickett S. D., 1996, J. Chem. Inf. Comput. Sci., 36, 1223, 10.1021/ci960039g
Mason J. S., 1999, Pac. Symp. Biocomput.
Cramer R. D., 1988, J. Am. Chem. Soc., 110, 5967, 10.1021/ja00226a005
Hopfinger A. J., 1997, J. Am. Chem. Soc., 119, 10524, 10.1021/ja9718937
Mason J. S., 1999, J. Med. Chem., 42, 3264, 10.1021/jm9806998
McGregor M. J., 1999, J. Chem. Inf. Comput. Sci., 39, 574, 10.1021/ci980159j
Mason J. S., 2000, Pac. Symp. Biocomput.
Bradley E. K., 2000, J. Med. Chem., 43, 2774, 10.1021/jm990578n
Willett P., 1986, J. Chem. Inf. Comput. Sci., 26, 118, 10.1021/ci00051a006
Shemetulskis N. E., 1995, J. Comput-Aided Mol. Des., 9, 416, 10.1007/BF00123998
Menard P. R., 1998, J. Chem. Inf. Comput. Sci., 38, 505
Doman T. N., 1996, J. Chem. Inf. Comput. Sci., 36, 1204, 10.1021/ci960361r
Weininger D., 1995, Clustering package user's guide. Daylight theory manual
Brown R. D., 1996, J. Chem. Inf. Comput. Sci., 36, 584, 10.1021/ci9501047
Brown R. D., 1997, J. Chem. Inf. Comput. Sci., 37, 9, 10.1021/ci960373c
Bayada D. M., 1999, J. Chem. Inf. Comput. Sci., 39, 10, 10.1021/ci980109e
Wild D. J., 2000, J. Chem. Inf. Comput. Sci., 40, 162
Wesolowsky G., 1976, Multivariate Regression and Analysis of Variance
Chen X., 1998, J. Chem. Inf. Comput. Sci., 38, 1062
Dixon S. L., 1999, J. Comput.-Aided Mol. Des., 13, 545, 10.1023/A:1008061017938
Lewis R. A., 1997, J. Chem. Inf. Comput. Sci., 37, 614, 10.1021/ci960471y
Stanton D. T, 1999, J. Chem. Inf. Comput. Sci., 39, 20
Stanton D. T., 1999, J. Chem. Inf. Comput. Sci., 39, 27
Schnur D, 1999, J. Chem. Inf. Comput. Sci., 39, 45, 10.1021/ci980138p
Pirard B., 2000, J. Chem. Inf. Comput. Sci., 40, 1440, 10.1021/ci000386x
Xue L., 1999, J. Chem. Inf. Comput. Sci., 39, 704
Xue L., 2000, J. Chem. Inf. Comput. Sci., 40, 809
Xue L., 2000, J. Chem. Inf. Comput. Sci., 40, 1234
Benigni R., 1999, J. Chem. Inf. Comput. Sci., 39, 578
Gillet V. J., 1998, J. Chem. Inf. Comput. Sci., 38, 179, 10.1021/ci970431+
UNITY, 1996, Chemical Information Software
Matter H, 1997, J. Med. Chem., 40, 1229, 10.1021/jm960352+
Matter H., 1999, J. Chem. Inf. Comput. Sci., 39, 1225, 10.1021/ci980185h
Patterson D. E., 1996, J. Med. Chem., 39, 3059, 10.1021/jm960290n
Schuffenhauer A., 2000, J. Chem. Inf. Comput. Sci., 40, 307, 10.1021/ci990263g
Godden J. W., 2000, J. Chem. Inf. Comput. Sci., 40, 800
Shannon C. E., 1963, The Mathematical Theory of Communication
Labute P., 1999, Pac. Symp. Biocomput.
Stahura F. L., 2000, J. Chem. Inf. Comput. Sci., 40, 1252, 10.1021/ci0003303
Pickett S. D., 2000, J. Chem. Inf. Comput. Sci., 40, 272, 10.1021/ci990261w
Xue L., 1999, J. Chem. Inf. Comput. Sci., 39, 886
Hurst T., 1994, J. Chem. Inf. Comput. Sci., 34, 196, 10.1021/ci00017a025
Clark D. E., 1994, J. Chem. Inf. Comput. Sci., 34, 206, 10.1021/ci00017a026
Pearlman R. S, 1987, Chem. Des. Auto. News, 2, 7
Gund P, 1977, Prog. Mol. Subcell. Biol., 5, 143
Good A. C., 1996, Rev. Comput. Chem., 7, 117
Wang T., 1998, J. Chem. Inf. Comput. Sci., 38, 77
Venkatarangan P., 1999, J. Chem. Inf. Comput. Sci., 39, 1150, 10.1021/ci9900332
Hopfinger A. J., 1999, J. Chem. Inf. Comput. Sci., 39, 1160, 10.1021/ci990032+
Cramer R. D., 1996, J. Med. Chem., 39, 3069, 10.1021/jm960291f
Cramer R. D., 1999, J. Med. Chem., 42, 3933, 10.1021/jm990159q
Andrews K. M., 2000, J. Med. Chem., 43, 1740, 10.1021/jm000003m
Rusinko A., 1999, J. Chem. Inf. Comput. Sci., 39, 1026, 10.1021/ci9903049
Gao H., 1999, J. Chem. Inf. Comput. Sci., 39, 168
Clark D. E., 2000, Drug Discovery Today, 5, 58, 10.1016/S1359-6446(99)01451-8
Lipinski C. A., 1997, Adv. Drug. Delivery Rev., 23, 25, 10.1016/S0169-409X(96)00423-1
Norinder U., 1997, Pharm. Res., 14, 1791, 10.1023/A:1012196216736
Wessel M. D., 1998, J. Chem. Inf. Comput. Sci., 38, 735, 10.1021/ci980029a
Darvas F., 2000, J. Chem. Inf. Comput. Sci., 40, 322, 10.1021/ci990268d
Ajay, 1998, J. Med. Chem., 41, 3324, 10.1021/jm970666c
Sadowski J., 1998, J. Med. Chem., 41, 3329, 10.1021/jm9706776
Sadowski J, 2000, Curr. Opin. Chem. Biol., 4, 282, 10.1016/S1367-5931(00)00089-2
Ajay, 1999, J. Med. Chem., 42, 4951, 10.1021/jm990017w
Tropsha A, 2000, Curr. Opin. Drug Discovery Dev., 3, 313
Lattman E. E., Ed. Third Meeting on the Critical Assessment of Techniques for Protein Structure Prediction. Proteins: Structure, Function, and Genetics; 1999;, 37
Hadjipavlou-Litina D., 1994, Chem. Rev., 94, 1505, 10.1021/cr00030a002
Bromidge S. M., 1998, J. Med. Chem., 41, 1612, 10.1021/jm970741j
Taverne T., 1998, J. Med. Chem., 41, 2018, 10.1021/jm970298c
Morreale A., 1998, J. Med. Chem., 41, 2039, 10.1021/jm970745o
Hall L. H., 1991, Rev. Comput. Chem., 2, 422
