-
2
-
-
0034237264
-
Diversity screening versus focused screening in drug discovery
-
Valler, M. J.; Green, D. Diversity Screening Versus Focused Screening in Drug Discovery. Drug Discovery Today 2000, 5, 286-293.
-
(2000)
Drug Discovery Today
, vol.5
, pp. 286-293
-
-
Valler, M.J.1
Green, D.2
-
3
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Adv. Drug Delivery Rev. 1997, 23, 3-25.
-
(1997)
Adv. Drug Delivery Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
4
-
-
0035438391
-
Is there a difference between leads and drugs? A historical perspective
-
Oprea, T. I.; Davis, A. M.; Teague, S. D.; Leeson, P. D.Is There a Difference Between Leads and Drugs? A Historical Perspective. J. Chem. Inf. Comput. Sci. 2001, 41, 1308-1315.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1308-1315
-
-
Oprea, T.I.1
Davis, A.M.2
Teague, S.D.3
Leeson, P.D.4
-
5
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
Hann, M. M.; Leach, A. R.; Harper, G. Molecular Complexity and its Impact on the Probability of Finding Leads for Drug Discovery. J. Chem. Inf. Comput. Sci. 2001, 41, 856-864.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
6
-
-
0030831365
-
New methodology for profiling combinatorial libraries and screening sets: Cleaning up the design with HARPick
-
Good, A. C.; Lewis, R. A. New Methodology for Profiling Combinatorial Libraries and Screening Sets: Cleaning up the Design with HARPick. J. Med. Chem. 1997, 40, 3926-3936.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 3926-3936
-
-
Good, A.C.1
Lewis, R.A.2
-
7
-
-
0032600672
-
Beyond mere diversity: Tailoring combinatorial libraries for drug discovery
-
Martin, E. J.; Crichlow, R. W. Beyond Mere Diversity: Tailoring Combinatorial Libraries for Drug Discovery. J. Comb. Chem. 1999, 1, 32-45.
-
(1999)
J. Comb. Chem.
, vol.1
, pp. 32-45
-
-
Martin, E.J.1
Crichlow, R.W.2
-
8
-
-
15844383852
-
Selecting combinatorial libraries to optimise diversity and physical properties
-
Gillet, V. J.; Willett, P.; Bradshaw, J.; Green, D. V. S. Selecting Combinatorial Libraries to Optimise Diversity and Physical Properties. J. Chem. Inf. Comput. Sci. 1999, 39, 169-177.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 169-177
-
-
Gillet, V.J.1
Willett, P.2
Bradshaw, J.3
Green, D.V.S.4
-
9
-
-
0033654770
-
PICCOLO: A tool for combinatorial library design via multicriterion optimization
-
Atlman, R. B., Dunkar, A. K., Hunter, L., Lauderdale K., Klein, T. E., Eds.; World Scientific: Singapore
-
Zheng, W.; Hung, S. T.; Saunders, J. T.; Seibel, G. L. PICCOLO: A Tool for Combinatorial Library Design via Multicriterion Optimization. In Pacific Symposium on Biocomputing 2000; Atlman, R. B., Dunkar, A. K., Hunter, L., Lauderdale K., Klein, T. E., Eds.; World Scientific: Singapore, 2000; pp 588-599.
-
(2000)
Pacific Symposium on Biocomputing 2000
, pp. 588-599
-
-
Zheng, W.1
Hung, S.T.2
Saunders, J.T.3
Seibel, G.L.4
-
10
-
-
0034351502
-
Combinatorial library design for diversity, cost efficiency, and drug-like character
-
Brown, J. D.; Hassan, M.; Waldman, M. Combinatorial Library Design for Diversity, Cost Efficiency, and Drug-Like Character. J. Mol Graph. Model. 2000, 18, 427-437.
-
(2000)
J. Mol Graph. Model.
, vol.18
, pp. 427-437
-
-
Brown, J.D.1
Hassan, M.2
Waldman, M.3
-
11
-
-
0036489455
-
Combinatorial library design using a multiobjective genetic algorithm
-
Gillet, V. J.; Khatib, W.; Willett, P.; Fleming, P. J.; Green, D. V. S. Combinatorial Library Design Using a Multiobjective Genetic Algorithm, J. Chem. Inf. Comput. Sci., 2002, 42, 375-385.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 375-385
-
-
Gillet, V.J.1
Khatib, W.2
Willett, P.3
Fleming, P.J.4
Green, D.V.S.5
-
12
-
-
0036010698
-
Designing focused libraries using MoSELECT
-
Gillet, V. J.; Willett, P.; Fleming, P.; Green, D. V. S. Designing Focused Libraries Using MoSELECT. J. Mol Graph. Model. 2002, 20, 491-498.
-
(2002)
J. Mol Graph. Model.
, vol.20
, pp. 491-498
-
-
Gillet, V.J.1
Willett, P.2
Fleming, P.3
Green, D.V.S.4
-
13
-
-
0344667923
-
-
UK Patent Application No. 0029361
-
UK Patent Application No. 0029361.
-
-
-
-
14
-
-
0035327169
-
Mulitobjective optimisation of combinatorial libraries
-
Agrafiotis, D. K. Mulitobjective Optimisation of Combinatorial Libraries. IBM R. Res., Dev. 2001, 45, 545-566.
-
(2001)
IBM R. Res., Dev.
, vol.45
, pp. 545-566
-
-
Agrafiotis, D.K.1
-
15
-
-
0002629429
-
An overview of evolutionary algorithms in multiojective optimisation
-
Fonseca C. M.; Fleming P. J. An Overview of Evolutionary Algorithms in Multiojective Optimisation. Evolutionary Comput, 1995, 3, 1-16.
-
(1995)
Evolutionary Comput
, vol.3
, pp. 1-16
-
-
Fonseca, C.M.1
Fleming, P.J.2
-
16
-
-
0037038314
-
Multiobjective optimization in quantitative structure - Activity relationships: Deriving accurate and interpretable QSARs
-
Nicolotti, O.; Gillet, V. J.; Fleming, P. J.; Green, D. V. S. Multiobjective Optimization in Quantitative Structure - Activity Relationships: Deriving Accurate and Interpretable QSARs. J. Med. Chem. 2002, 45, 5069-5080.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 5069-5080
-
-
Nicolotti, O.1
Gillet, V.J.2
Fleming, P.J.3
Green, D.V.S.4
-
17
-
-
0032015039
-
Superposition of three-dimensional chemical structures allowing for conformational flexibility by a hybrid method
-
Handschuh, S.; Wagener, M.; Gasteiger, J. Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method. J. Chem. Inf. Comput. Sci. 1998, 38, 220-232.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 220-232
-
-
Handschuh, S.1
Wagener, M.2
Gasteiger, J.3
-
19
-
-
0030815955
-
Designing combinatorial library mixtures using a genetic algorithm
-
Brown, R. D.; Martin, Y. C. Designing Combinatorial Library Mixtures Using a Genetic Algorithm. J. Med. Chem. 1997, 40, 2304-2313.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 2304-2313
-
-
Brown, R.D.1
Martin, Y.C.2
-
20
-
-
0000819953
-
Enhancing the hit-to-lead properties of lead optimization libraries
-
Pickett, S. D.; McLay, I. M.; Clark, D. E. Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries. J. Chem. Inf. Comput. Sci. 2000, 40, 263-272.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 263-272
-
-
Pickett, S.D.1
McLay, I.M.2
Clark, D.E.3
-
21
-
-
0031701082
-
Multiobjective optimisation and multiple constraint handling with evolutionary algorithms - Part I: A unified formulation
-
Fonseca, C. M.; Fleming, P. J. Multiobjective Optimisation and Multiple Constraint Handling with Evolutionary Algorithms - Part I: A unified formulation. IEEE Trans. Systems, Man, Cybernetics 1998, 28, 26-37.
-
(1998)
IEEE Trans. Systems, Man, Cybernetics
, vol.28
, pp. 26-37
-
-
Fonseca, C.M.1
Fleming, P.J.2
-
22
-
-
0345530252
-
-
2 is available from Accelrys Inc., 9685 Scranton Road, San Diego, CA 92121
-
2 is available from Accelrys Inc., 9685 Scranton Road, San Diego, CA 92121.
-
-
-
-
23
-
-
0345098754
-
-
The World Drug Index is available from Derwent Information, 14 Great Queen St., London WC2B 5DF, UK
-
The World Drug Index is available from Derwent Information, 14 Great Queen St., London WC2B 5DF, UK.
-
-
-
-
24
-
-
0003100389
-
On the performance assessment and comparison of stochastic multiobjective optimizers
-
Voigt, H. M., Ebeling, W., Rechenberg, I., Schwefel, H. P., Eds.; Springer: Berlin, Germany
-
Fonseca, C. M.; Fleming, P. J. On the Performance Assessment and Comparison of Stochastic Multiobjective Optimizers. In Parallel Problem Solving From Nature V; Voigt, H. M., Ebeling, W., Rechenberg, I., Schwefel, H. P., Eds.; Springer: Berlin, Germany, 1995; pp 584-593.
-
(1995)
Parallel Problem Solving From Nature V
, pp. 584-593
-
-
Fonseca, C.M.1
Fleming, P.J.2
|