-
1
-
-
0040914011
-
-
C. Hansch, P. P. Maloney, T. Fujita, J. Am. Chem. Soc. 1964,86,1616-1626.
-
(1964)
J. Am. Chem. Soc.
, vol.86
, pp. 1616-1626
-
-
Hansch, C.1
Maloney, P.P.2
Fujita, T.3
-
2
-
-
0003955925
-
-
ACS, Washington, DC
-
C. Hansch, A. Leo, Exploring QSAR Fundamentals and Applications in Chemistry and Biology, Vol. 1, ACS, Washington, DC 1995.
-
(1995)
Exploring QSAR Fundamentals and Applications in Chemistry and Biology
, vol.1
-
-
Hansch, C.1
Leo, A.2
-
3
-
-
84956810984
-
-
Claremont, CA, USA
-
C. Hansch, A. Leo, L. Zhang, Comprehensive Quantitative Structure-Activity relationships: C- QSAR, Pomona College, Claremont, CA, USA 1992.
-
(1992)
Comprehensive Quantitative Structure-Activity relationships: C- QSAR, Pomona College
-
-
Hansch, C.1
Leo, A.2
Zhang, L.3
-
5
-
-
0003955925
-
-
ACS, Washington, DC
-
C. Hansch, A. Leo, Exploring QSAR Fundamentals and Applications in Chemistry and Biology, Vol. 2, ACS, Washington, DC 1995.
-
(1995)
Exploring QSAR Fundamentals and Applications in Chemistry and Biology
, vol.2
-
-
Hansch, C.1
Leo, A.2
-
10
-
-
84988072874
-
-
R. D. Gilliom, J.-P. Beck, W. P. Purcell, J. Comput. Chem. 1985,6,437-440.
-
(1985)
J. Comput. Chem.
, vol.6
, pp. 437-440
-
-
Gilliom, R.D.1
Beck, J.-P.2
Purcell, W.P.3
-
12
-
-
0003089058
-
-
F. Sanz, J. Giraldo, F. Manaut (Eds.), Prous Science Publishers, Barcelona
-
J. C. Dearden, T. Ghaufurian, in QSAR and Molecular Modelling: Concepts, Computational tools and Biological Applications, F. Sanz, J. Giraldo, F. Manaut (Eds.), Prous Science Publishers, Barcelona 1995, pp. 117-119.
-
(1995)
QSAR and Molecular Modelling: Concepts, Computational tools and Biological Applications
, pp. 117-119
-
-
Dearden, J.C.1
Ghaufurian, T.2
-
13
-
-
0024570429
-
-
H. Van de Waterbeemd, B. Testa, P.-A. Carrupt, N. El Tayar, Prog. Clin. Biol. Res. 1989, 291, 123-126.
-
(1989)
Prog. Clin. Biol. Res.
, vol.291
, pp. 123-126
-
-
Van de Waterbeemd, H.1
Testa, B.2
Carrupt, P.-A.3
El Tayar, N.4
-
14
-
-
0024679619
-
-
H. Van de Waterbeemd, N. El Tayar, P. -A. Carrupt, B. Testa, J. Comput.-Aided Mol. Design 1989,5,111-132.
-
(1989)
J. Comput.-Aided Mol. Design
, vol.5
, pp. 111-132
-
-
Van de Waterbeemd, H.1
El Tayar, N.2
Carrupt, P.-A.3
Testa, B.4
-
16
-
-
0024425633
-
-
J. Jonsson,L. Eriksson, S. Hellberg, M. Sjoestroem, S. Wold, Quant. Struct.-Act. Relat. 1989,8,204-209.
-
(1989)
Quant. Struct.-Act. Relat.
, vol.8
, pp. 204-209
-
-
Jonsson, J.1
Eriksson, L.2
Hellberg, S.3
Sjoestroem, M.4
Wold, S.5
-
18
-
-
0021797419
-
-
B.H. W. Hamilton, D. F. Ortwine, D. F. Worth, E. W. Badger, J. A. Bristol, R. F. Bruns, S. J. Haleen, R. P. Steffen, J. Med. Chem. 1985,28, 1071-1079.
-
(1985)
J. Med. Chem.
, vol.28
, pp. 1071-1079
-
-
Hamilton, B.H.W.1
Ortwine, D.F.2
Worth, D.F.3
Badger, E.W.4
Bristol, J.A.5
Bruns, R.F.6
Haleen, S.J.7
Steffen, R.P.8
-
20
-
-
0030990079
-
-
S. Yee, Pharm. Res. 1997,14, 763-766.
-
(1997)
Pharm. Res.
, vol.14
, pp. 763-766
-
-
Yee, S.1
-
21
-
-
84956745003
-
-
Molecular Modelling and Prediction of Bioactivity, Abstract book 12"' European Symposium on QSAR, Copenhagen
-
A. Karlen, S. Winiwarter, M. Bohnam, H. Lennernas, A. Hallberg, Correlation of Intestinal Drug Permeability in Humans (in vivo) with Experimentally and Theoretically Derived Parameters, Molecular Modelling and Prediction of Bioactivity, Abstract book 12"' European Symposium on QSAR, Copenhagen 1998.
-
(1998)
Correlation of Intestinal Drug Permeability in Humans (in vivo) with Experimentally and Theoretically Derived Parameters
-
-
Karlen, A.1
Winiwarter, S.2
Bohnam, M.3
Lennernas, H.4
Hallberg, A.5
-
22
-
-
0031024171
-
-
C.A. Lipinsky, F. Lombardo, B. W. Dominy, P. J. Feeney, Adv. Drug. Deliv. Rev. 1997,23,3-25.
-
(1997)
Adv. Drug. Deliv. Rev.
, vol.23
, pp. 3-25
-
-
Lipinsky, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
24
-
-
0028108085
-
-
M. H. Abraham, H. S. Chadha, R. C. Mitchell, J. Pharm. Sci. 1994,83, 1257-1268.
-
(1994)
J. Pharm. Sci.
, vol.83
, pp. 1257-1268
-
-
Abraham, M.H.1
Chadha, H.S.2
Mitchell, R.C.3
-
27
-
-
0027310371
-
-
M. Baroni, G. Costantini, G. Cruciani, D. Riganelli, R. Valigi, S. Clementi, Quant. Struct-Act. Relat. 1993,12,9-20.
-
(1993)
Quant. Struct-Act. Relat.
, vol.12
, pp. 9-20
-
-
Baroni, M.1
Costantini, G.2
Cruciani, G.3
Riganelli, D.4
Valigi, R.5
Clementi, S.6
-
28
-
-
0030920575
-
-
M. Pastor, G. Cruciani, S. Clementi, J. Med. Chem. 1997,40,1455-1464.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 1455-1464
-
-
Pastor, M.1
Cruciani, G.2
Clementi, S.3
-
32
-
-
84956848519
-
-
H. Kubinyi, G. Folkers, Y. C. Mar-tin (Eds.), Kluwer Academic Publishers, The Netherlands
-
U. Norinder, in 3D QSAR in Drug Design: Recent Advances, H. Kubinyi, G. Folkers, Y. C. Mar-tin (Eds.), Kluwer Academic Publishers, The Netherlands 1998, pp. 23-39.
-
(1998)
3D QSAR in Drug Design: Recent Advances
, pp. 23-39
-
-
Norinder, U.1
-
33
-
-
0011487892
-
-
H. Kubinyi, G. Folkers, Y. C. Martin (Eds.), Kluwer Academic Publishers, The Netherlands
-
R. T. Kroemer, P. Hecht, S. Guessregen, K. R. Liedl, in 3D QSAR in Drug Design: Recent Advances, H. Kubinyi, G. Folkers, Y. C. Martin (Eds.), Kluwer Academic Publishers, The Netherlands 1998, pp. 41-56.
-
(1998)
3D QSAR in Drug Design: Recent Advances
, pp. 41-56
-
-
Kroemer, R.T.1
Hecht, P.2
Guessregen, S.3
Liedl, K.R.4
-
36
-
-
0030948120
-
-
J. Nilsson, H. Wikstroem, A. Smilde, S. Glase, T. Pugsley, G. Cruciani, M. Pastor, S. Clementi, J. Med. Chem. 1997,40, 833-840.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 833-840
-
-
Nilsson, J.1
Wikstroem, H.2
Smilde, A.3
Glase, S.4
Pugsley, T.5
Cruciani, G.6
Pastor, M.7
Clementi, S.8
-
37
-
-
0542451678
-
-
H. Kubinyi, G. Folkers, Y. C. Martin (Eds.), Kluwer Academic Publishers, The Netherlands
-
G. Klebe, in 3D QSAR in Drug Design: Recent Advances, H. Kubinyi, G. Folkers, Y. C. Martin (Eds.), Kluwer Academic Publishers, The Netherlands 1998, pp. 87-104.
-
(1998)
3D QSAR in Drug Design: Recent Advances
, pp. 87-104
-
-
Klebe, G.1
-
38
-
-
0037920567
-
-
M. Bohm, J. Sturzebecher, G. Klebe, J. Med. Chem. 1999,42,458-477.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 458-477
-
-
Bohm, M.1
Sturzebecher, J.2
Klebe, G.3
-
40
-
-
0033602217
-
-
D. D. Robinson, P. J. Winn, P. D. Lyne, W. G. Richards, J. Med. Chem. 1999,42, 573-583.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 573-583
-
-
Robinson, D.D.1
Winn, P.J.2
Lyne, P.D.3
Richards, W.G.4
-
43
-
-
0041288984
-
-
H. Kubinyi, G. Folkers, Y. C. Martin (Eds.), Kluwer Academic Publishers, The Netherlands
-
M. Hahn, D. Rogers, in 3D QSAR in Drug Design: Recent Advances, H. Kubinyi, G. Folkers, Y. C. Martin (Eds.), Kluwer Academic Publishers, The Netherlands 1998,117-133.
-
(1998)
3D QSAR in Drug Design: Recent Advances
, pp. 117-133
-
-
Hahn, M.1
Rogers, D.2
-
44
-
-
84956735893
-
-
submitted for publication.
-
S. J. Cho, D. Cummins, J. Bentley, C. W. Andrews, A. Tropsha, J. Comput.-Aided Mol. Design, submitted for publication.
-
J. Comput.-Aided Mol. Design
-
-
Cho, S.J.1
Cummins, D.2
Bentley, J.3
Andrews, C.W.4
Tropsha, A.5
-
46
-
-
0032561220
-
-
R. E. Wilcox, T. Tseng, M.-Y. K. Brusniak, B. Ginsburg, R. S. Pearlman, M. Teeter, C. DuRand, S. Starr, K. A. Neve, J. Med. Chem. 1998, 41, 4385-4399.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 4385-4399
-
-
Wilcox, R.E.1
Tseng, T.2
Brusniak, M.-Y.K.3
Ginsburg, B.4
Pearlman, R.S.5
Teeter, M.6
DuRand, C.7
Starr, S.8
Neve, K.A.9
-
47
-
-
0030641914
-
-
G. Bravi, E. Gancia, P. Mascagni, M. Pegna, R. Todeschini, A. Zaliani, J. Comput.-Aided Mol. De-sign 1997, 11, 79-92.
-
(1997)
J. Comput.-Aided Mol. De-sign
, vol.11
, pp. 79-92
-
-
Bravi, G.1
Gancia, E.2
Mascagni, P.3
Pegna, M.4
Todeschini, R.5
Zaliani, A.6
-
48
-
-
0002896151
-
-
H. Kubinyi (Ed.), ESCOM Science Publishers B. V., The Netherlands
-
C.Mattos, D. Ringe, in 3D QSAR in Drug Design: Theory, Methods and Applications, H. Kubinyi (Ed.), ESCOM Science Publishers B. V., The Netherlands 1993, pp. 226-254.
-
(1993)
3D QSAR in Drug Design: Theory, Methods and Applications
, pp. 226-254
-
-
Mattos, C.1
Ringe, D.2
-
49
-
-
0022489613
-
-
D.J. Smith, M. H. Kremer, M. Luo, G. Vriend, E. Arnold, G. Kamer, M. G. Rossmann, M. A. McKinlay, G. D. Diana, M. J. Otto, Science 1986,233,1286-1293.
-
(1986)
Science
, vol.233
, pp. 1286-1293
-
-
Smith, D.J.1
Kremer, M.H.2
Luo, M.3
Vriend, G.4
Arnold, E.5
Kamer, G.6
Rossmann, M.G.7
McKinlay, M.A.8
Diana, G.D.9
Otto, M.J.10
-
50
-
-
0024454604
-
-
J. Badger, I. Minor, M. A. Oliveira, T. J. Smith, M. G. Rossmann, Proteins Struct. Fund. Genet. 1989, 6,1-19.
-
(1989)
Proteins Struct. Fund. Genet.
, vol.6
, pp. 1-19
-
-
Badger, J.1
Minor, I.2
Oliveira, M.A.3
Smith, T.J.4
Rossmann, M.G.5
-
51
-
-
0027548454
-
-
Y. C. Martin, M. G. Bures, E. A. Danaher, J. DeLazer, I. Lico, P.A. Pavlik, J. Comput.-Aided Mol. Design 1993, 7, 83-102.
-
(1993)
J. Comput.-Aided Mol. Design
, vol.7
, pp. 83-102
-
-
Martin, Y.C.1
Bures, M.G.2
Danaher, E.A.3
DeLazer, J.4
Lico, I.5
Pavlik, P.A.6
-
52
-
-
84956782301
-
-
D. Barnum, J. Greene, A. Smellie, P. Sprague, J. Chem. Inf. Comput. Sci. 1999,36,525-533.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 525-533
-
-
Barnum, D.1
Greene, J.2
Smellie, A.3
Sprague, P.4
-
53
-
-
0027368530
-
-
M. Harel, I. Schalk, L. Ehret-Sabatier, F. Bouet, M. Goeldener, C. Hirth, P. H. Asselsen, I. Silman, J. L. Sussman, Proc. Natl. Acad. Sci. USA 1993, 90, 9031-9035.
-
(1993)
Proc. Natl. Acad. Sci. USA
, vol.90
, pp. 9031-9035
-
-
Harel, M.1
Schalk, I.2
Ehret-Sabatier, L.3
Bouet, F.4
Goeldener, M.5
Hirth, C.6
Asselsen, P.H.7
Silman, I.8
Sussman, J.L.9
-
54
-
-
84984376233
-
-
R. Todeschini, M. Lasagni, E. Marengo, J. Chemometrics 1994,8, 263-272.
-
(1994)
J. Chemometrics
, vol.8
, pp. 263-272
-
-
Todeschini, R.1
Lasagni, M.2
Marengo, E.3
-
56
-
-
0028819599
-
-
R. Todeschini, P. Gramatica, R. Provenzani, E. Marengo, Chemom. Intell. Lab. Systems 1995,27, 221-229.
-
(1995)
Chemom. Intell. Lab. Systems
, vol.27
, pp. 221-229
-
-
Todeschini, R.1
Gramatica, P.2
Provenzani, R.3
Marengo, E.4
-
61
-
-
0032964028
-
-
S. Ekins, G. Bravi, B. J. Ring, T. A. Gillespie, J. S. Gillespie, M. Vandenbranden, S. A. Wrighton, J. H. Wikel, J. Pharmacol. Exp. Ther. 1999,288, 21-29.
-
(1999)
J. Pharmacol. Exp. Ther.
, vol.288
, pp. 21-29
-
-
Ekins, S.1
Bravi, G.2
Ring, B.J.3
Gillespie, T.A.4
Gillespie, J.S.5
Vandenbranden, M.6
Wrighton, S.A.7
Wikel, J.H.8
-
62
-
-
0034064924
-
-
E. Gancia, G. Bravi, P. Mascagni, A. Zaliani, J. Comput.-Aided Mol. Design 2000,14,293-306.
-
(2000)
J. Comput.-Aided Mol. Design
, vol.14
, pp. 293-306
-
-
Gancia, E.1
Bravi, G.2
Mascagni, P.3
Zaliani, A.4
-
63
-
-
0029562304
-
-
A. Poso, R. Juvonen, J. Gynther, Quant. Struct.-Act. Relat. 1995,14, 507-511.
-
(1995)
Quant. Struct.-Act. Relat.
, vol.14
, pp. 507-511
-
-
Poso, A.1
Juvonen, R.2
Gynther, J.3
-
65
-
-
0028851251
-
-
M. Wagener, J. Sadowski, J. Gasteiger, J. Am. Chem. Soc. 1995,117,7769-7775.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7769-7775
-
-
Wagener, M.1
Sadowski, J.2
Gasteiger, J.3
-
66
-
-
84956838300
-
-
Noordwijkerhout, The Nertherlands
-
A. Teckentrup, H. Briem, J. Gasteiger, Analysing HTS Data: an Approach Using Neural Net-works, Abstract Book 5th International Conference on Chemical Structure, Noordwijkerhout, The Nertherlands, 1999.
-
(1999)
Analysing HTS Data: an Approach Using Neural Net-works, Abstract Book 5th International Conference on Chemical Structure
-
-
Teckentrup, A.1
Briem, H.2
Gasteiger, J.3
-
67
-
-
0031085401
-
-
A. M. Ferguson, T. W. Heritage, P. Jonathan, S. E. Pack, L. Phillips, J. Rogan, P. J. Snaith, J. Comput.-Aided Mol. Design 1997,11,143-152.
-
(1997)
J. Comput.-Aided Mol. Design
, vol.11
, pp. 143-152
-
-
Ferguson, A.M.1
Heritage, T.W.2
Jonathan, P.3
Pack, S.E.4
Phillips, L.5
Rogan, J.6
Snaith, P.J.7
-
68
-
-
0031178854
-
-
D. B. Turner, P. Willett, A. M. Ferguson, T. W. Heritage, J. Comput.-Aided Mol. Design 1997, 11, 409-422.
-
(1997)
J. Comput.-Aided Mol. Design
, vol.11
, pp. 409-422
-
-
Turner, D.B.1
Willett, P.2
Ferguson, A.M.3
Heritage, T.W.4
-
69
-
-
0033193581
-
-
R. Bursi, T. Dao, T. van Wijk, M. de Gooyer, E. Kellenbach, P. Verwer, J. Chem. Inf. Comput. Sci. 1999,39, 861-867.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 861-867
-
-
Bursi, R.1
Dao, T.2
van Wijk, T.3
de Gooyer, M.4
Kellenbach, E.5
Verwer, P.6
-
70
-
-
84872275281
-
-
St. Louis, USA.
-
HQSAR, Tripos Inc., St. Louis, USA.
-
Tripos Inc.
-
-
-
72
-
-
0032856749
-
-
M. Seel, D. B. Turner, P. Willett, Quant. Struct-Act. Relat. 1999,18, 245-252.
-
(1999)
Quant. Struct-Act. Relat.
, vol.18
, pp. 245-252
-
-
Seel, M.1
Turner, D.B.2
Willett, P.3
-
75
-
-
0001127086
-
-
Quantitative Drug Design, C. Hansch, P. G. Sammes, J. B. Taylor, C. A. Ramsden (Eds.), Pergamon Press, USA
-
H. Kubinyi, in Comprehensive Medicinal Chemistry, Vol. 4, Quantitative Drug Design, C. Hansch, P. G. Sammes, J. B. Taylor, C. A. Ramsden (Eds.), Pergamon Press, USA 1990, pp. 589-643.
-
(1990)
Comprehensive Medicinal Chemistry
, vol.4
, pp. 589-643
-
-
Kubinyi, H.1
-
76
-
-
0026753127
-
-
M. Higginbottom, C. Kneen, G. S. Ratcliffe, J. Med. Chem. 1992,55,1572-1577.
-
(1992)
J. Med. Chem.
, vol.55
, pp. 1572-1577
-
-
Higginbottom, M.1
Kneen, C.2
Ratcliffe, G.S.3
-
77
-
-
0032701926
-
-
I. C. Muszynsky, L. Scapozza, K.-A. Kovar, G. Folkers, Quant. Struct-Act. Relat. 1999,18,342-353.
-
(1999)
Quant. Struct-Act. Relat.
, vol.18
, pp. 342-353
-
-
Muszynsky, I.C.1
Scapozza, L.2
Kovar, K.-A.3
Folkers, G.4
-
79
-
-
0030191311
-
-
N. E. Shemetulskis, D. Weininger, C. J. Blankley, J. J. Yang and C. J. Humblet, J. Chem. Inf. Comput. Sci. 1996,36,862-871.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 862-871
-
-
Shemetulskis, N.E.1
Weininger, D.2
Blankley, C.J.3
Yang, JJ.4
Humblet, C.J.5
-
80
-
-
33845379303
-
-
R. E. Carhart, D. H. Smith, R. Venkataraghavan, J. Chem. Inf. Comput. Sci. 1985,25, 64-73.
-
(1985)
J. Chem. Inf. Comput. Sci.
, vol.25
, pp. 64-73
-
-
Carhart, R.E.1
Smith, D.H.2
Venkataraghavan, R.3
-
81
-
-
0003076470
-
-
R. Nilakantan, N. Bauman, J. S. Dixon, R. Venkataraghavan, J. Chem. Inf. Comput. Sci. 1987,27, 82-85.
-
(1987)
J. Chem. Inf. Comput. Sci.
, vol.27
, pp. 82-85
-
-
Nilakantan, R.1
Bauman, N.2
Dixon, J.S.3
Venkataraghavan, R.4
-
82
-
-
0001577643
-
-
S. K. Kearsley, S. Sallamack, E. M. Fluder, J. D. Andose, R. T. Mosley, R. P. Sheridan, J. Chem. Inf. Comput. Sci. 1996, 36, 118-127.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 118-127
-
-
Kearsley, S.K.1
Sallamack, S.2
Fluder, E.M.3
Andose, J.D.4
Mosley, R.T.5
Sheridan, R.P.6
-
84
-
-
0000805679
-
-
K. B. Lipkowitz, D. D. Boyd (Eds.), VCH Publishers, USA
-
L. H. Hall, L. B. Kier, in Reviews in Computational Chemistry Vol. 2, K. B. Lipkowitz, D. D. Boyd (Eds.), VCH Publishers, USA 1991, pp. 367-422.
-
(1991)
Reviews in Computational Chemistry
, vol.2
, pp. 367-422
-
-
Hall, L.H.1
Kier, L.B.2
-
86
-
-
0032012086
-
-
S. J. Cho, W. Zheng, A. Tropsha, J. Chem. Inf. Comput. Sci. 1998,38, 259-268.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 259-268
-
-
Cho, S.J.1
Zheng, W.2
Tropsha, A.3
-
88
-
-
0032619434
-
-
H. Gao, C. Williams, P. Labute, J. Bajorath, J. Chem. Inf. Comput. Sci. 1999,39,164-168.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 164-168
-
-
Gao, H.1
Williams, C.2
Labute, P.3
Bajorath, J.4
-
89
-
-
84956818134
-
-
Book of Abstracts 213 th ACS National Meeting, San Francisco, USA
-
O. F. Guner, M. Hahn, H. Li, M. Hassan, 2D versus 3D similarity: Use of molecular shape-based 3D searching techniques for identifying novel compounds, Book of Abstracts 213 th ACS National Meeting, San Francisco, USA 1997.
-
(1997)
2D versus 3D similarity: Use of molecular shape-based 3D searching techniques for identifying novel compounds
-
-
Guner, O.F.1
Hahn, M.2
Li, H.3
Hassan, M.4
-
90
-
-
0001639610
-
-
R. P. Sheridan, M. D. Miller, D.J. Underwood, S. K. Kearsley, J. Chem. Inf. Comput. Sci. 1996,36, 128-136.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 128-136
-
-
Sheridan, R.P.1
Miller, M.D.2
Underwood, D.J.3
Kearsley, S.K.4
-
93
-
-
0033606988
-
-
J. S. Mason, I. Morize, P. R. Menard, D. L. Cheney, C. Hulme, R. F. Labaudiniere, J. Med. Chem. 1999,42,3251-3264.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 3251-3264
-
-
Mason, J.S.1
Morize, I.2
Menard, P.R.3
Cheney, D.L.4
Hulme, C.5
Labaudiniere, R.F.6
-
95
-
-
77949958154
-
-
P. Willet (Ed.), Kluwer Academic Publishers, The Netherlands
-
J. S. Mason, S. D. Pickett, in Computational Methods for the Analysis of Molecular Diversity, P. Willet (Ed.), Kluwer Academic Publishers, The Netherlands 1997, pp. 85-114.
-
(1997)
Computational Methods for the Analysis of Molecular Diversity
, pp. 85-114
-
-
Mason, J.S.1
Pickett, S.D.2
-
97
-
-
0000128084
-
-
X. Chen, A. Rusinko HI, S. S. Young, J. Chem. Inf. Comput. Sci. 1998,38, 1054-1062.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 1054-1062
-
-
Chen, X.1
Rusinko HI, A.2
Young, S.S.3
-
98
-
-
0033193464
-
-
X. Chen, A. Rusinko III, A. Tropsha, S. S. Young, J. Chem. Inf. Comput. Sci. 1999,39, 887-896.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 887-896
-
-
Chen, X.1
Rusinko, A.2
Tropsha, A.3
Young, S.S.4
-
101
-
-
45949123735
-
-
S. Wold, K. Esbensen, P. Geladi, Chemom. Intell. Lab. Syst. 1987,2,37-52.
-
(1987)
Chemom. Intell. Lab. Syst.
, vol.2
, pp. 37-52
-
-
Wold, S.1
Esbensen, K.2
Geladi, P.3
-
102
-
-
0004193733
-
-
Wiley-VCH, Weinheim
-
M. Otto, Chemometrics, Wiley-VCH, Weinheim 1999, p. 125.
-
(1999)
Chemometrics
, pp. 125
-
-
Otto, M.1
-
103
-
-
0347290441
-
-
H. Kubinyi (Ed.), ESCOM Science Publishers B. V., The Netherlands
-
S. Clementi, G. Cruciani, M. Baroni, G. Costantino, in 3D QSAR in Drug Design: Theory, Meth-ods and Applications, H. Kubinyi (Ed.), ESCOM Science Publishers B. V., The Netherlands 1993, pp. 567-582.
-
(1993)
3D QSAR in Drug Design: Theory, Meth-ods and Applications
, pp. 567-582
-
-
Clementi, S.1
Cruciani, G.2
Baroni, M.3
Costantino, G.4
-
106
-
-
0025489075
-
-
T. Kohonen, Proc. IEEE 1990, 78, 1464-1480.
-
(1990)
Proc. IEEE
, vol.78
, pp. 1464-1480
-
-
Kohonen, T.1
-
112
-
-
0002309097
-
-
H. Kubinyi (Ed.) ESCOM Science Publishers B. V., The Netherlands
-
S. Wold, E. Johansson, M. Cocchi, Marina, in 3D QSAR in Drug Design: Theory, Methods and Applications, H. Kubinyi (Ed.) ESCOM Science Publishers B. V., The Netherlands 1993, pp. 523-550.
-
(1993)
3D QSAR in Drug Design: Theory, Methods and Applications
, pp. 523-550
-
-
Wold, S.1
Johansson, E.2
Cocchi, M.M.3
-
113
-
-
0004193733
-
-
Wiley-VCH, Weinheim
-
M. Otto, Chemometrics, Wiley-VCH, Weinheim 1999, p. 162.
-
(1999)
Chemometrics
, pp. 162
-
-
Otto, M.1
-
115
-
-
0000117331
-
-
B. R. Kowalsky (Ed.), ACD Sym-posium Series n. 52, American Chemical Society, USA
-
S. Wold, M. Sjostrom, in Chemometrics: Teory and Application, B. R. Kowalsky (Ed.), ACD Sym-posium Series n. 52, American Chemical Society, USA 1977, pp. 243-282.
-
(1977)
Chemometrics: Teory and Application
, pp. 243-282
-
-
Wold, S.1
Sjostrom, M.2
-
116
-
-
0003802343
-
-
Wadsworth, New York
-
L. Breiman, J. H. Freidman, R. A. Olshen, C. J. Stone, Classification and Regression Trees, Wadsworth, New York 1984.
-
(1984)
Classification and Regression Trees
-
-
Breiman, L.1
Freidman, J.H.2
Olshen, R.A.3
Stone, C.J.4
|