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Volumn 43, Issue 2, 2003, Pages 381-390

Optimizing the size and configuration of combinatorial libraries

Author keywords

[No Author keywords available]

Indexed keywords

GENETIC ALGORITHMS; LIBRARIES; SIMULATED ANNEALING; VIRTUAL REALITY;

EID: 0037363631     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0255836     Document Type: Conference Paper
Times cited : (44)

References (25)
  • 2
    • 0034237264 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 13
    • 0344667923 scopus 로고    scopus 로고
    • UK Patent Application No. 0029361
    • UK Patent Application No. 0029361.
  • 14
    • 0035327169 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.