-
9
-
-
0028874573
-
Strategies and recent technologies in drug discovery
-
(1995)
Pharmazie
, vol.50
, pp. 647-662
-
-
Kubinyi, H.1
-
16
-
-
0000928626
-
Similarity searching in the development of new bioactive compounds: An application
-
Chemical Structures 2. Warr WA (Ed), Springer-Verlag, Berlin, Germany
-
(1993)
, pp. 399-407
-
-
Grethe, G.1
Hounshell, W.D.2
-
28
-
-
0000132994
-
Similarity searching in files of three-dimensional chemical structures-alignment of molecular electrostatic potential fields with a genetic algorithm
-
(1996)
J Chem Inf Comput Sci
, vol.36
, pp. 159-167
-
-
Wild, D.J.1
Willett, P.2
-
33
-
-
0006441894
-
-
Classification SAR program (Molecular Simulations Inc, San Diego, CA, USA) is a commercial implementation of this technique
-
-
-
-
35
-
-
0006439143
-
-
Molecular Design Ltd, San Leandro, CA, USA
-
-
-
-
37
-
-
0033602543
-
Diversity analysis of 14,156 molecules tested by the National Cancer Institute for anti-HIV activity using the quantitative structure-activity relational expert system MCASE
-
(1999)
J Med Chem
, vol.42
, pp. 992-998
-
-
Klopman, G.1
Tu, M.2
-
38
-
-
0028157137
-
Approaches to SAR in carcinogenesis and mutagenesis. Prediction of carcinogenicity/mutagenicity using MULTI-CASE
-
(1994)
Mutat Res
, vol.305
, pp. 33-46
-
-
Klopman, G.1
Rosenkranz, H.S.2
-
43
-
-
0006402266
-
-
Software for generating molecular fingerprints is available from Daylight Chemical Information Systems Mission Viejo, CA, USA and Tripos Inc (St Louis, MO, USA)
-
-
-
-
45
-
-
0006441339
-
-
Comprehensive Medicinal Chemistry and the MACCS-II Drug Data Report are available from Molecular Design Ltd
-
-
-
-
54
-
-
0002650399
-
A hierarchical approach to the development of QSAR models using topological, geometrical and quantum chemical parameters
-
Topological Indices and Related Descriptors in QSAR and QSPR. Devillers J, Balaban AT (Eds), Gordon & Breach, Reading, UK
-
(1999)
, pp. 675-696
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
64
-
-
0006401374
-
-
The World Drug Index is available from Derwent Information Ltd, London, UK
-
-
-
-
69
-
-
0028057431
-
Application of SAR methods to non-congeneric databases associated with carcinogenicity and mutagenicity: Issues and approaches
-
(1994)
Mutat Res
, vol.306
, pp. 73-97
-
-
Richard, A.M.1
-
70
-
-
0032565550
-
Structure-based methods for predicting mutagenicity and carcinogenicity: Are we there yet?
-
(1998)
Mutat Res
, vol.400
, pp. 493-507
-
-
Richard, A.M.1
-
71
-
-
0001383515
-
The development and validation of expert systems for predicting toxicity
-
(1997)
ATLA
, vol.25
, pp. 223-252
-
-
Dearden, J.C.1
Barratt, M.D.2
Benigni, R.3
Bristol, D.W.4
Combes, R.D.5
Cronin, M.T.6
Judson, P.N.7
Payne, M.P.8
Richard, A.M.9
Tichy, M.10
Worth, A.P.11
Yourick, J.J.12
-
75
-
-
0030755884
-
The first US National Toxicology Program exercise on the prediction of rodent carcinogenicity: Definitive results
-
(1997)
Mutat Res
, vol.387
, pp. 35-45
-
-
Benigni, R.1
-
77
-
-
0006441219
-
QSTR applications in acute, chronic, and developmental toxicity, and carcinogenicity
-
Advances in Molecular Toxicology. Reiss C, Parvez S, Labbe G, Parvez H (Eds), VSP, Zeist, The Netherlands
-
(1998)
, pp. 141-164
-
-
Enslein, K.1
-
78
-
-
0032609573
-
Development, characterization and application of predictive toxicology models
-
(1999)
SAR QSAR Environ Res
, vol.10
, pp. 277-298
-
-
Rosenkranz, H.S.1
Cunningham, A.R.2
Zhang, Y.P.3
Claycamp, H.G.4
Macina, O.T.5
Sussman, N.B.6
Grant, S.G.7
Klopman, G.8
-
81
-
-
0006484277
-
-
The ToxSYS™ and QSARIS™ programs are available from SciVision (Burlington, MA, USA)
-
-
-
-
83
-
-
0032748568
-
The discovery-development interface has become the new interfacial phenomenon
-
(1999)
Drug Disc Today
, vol.4
, pp. 535-536
-
-
Johnson, D.1
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