SCOPUS 정보 검색 플랫폼

Journal of Molecular Graphics and Modelling

Volumn 20, Issue 6, 2002, Pages 491-498

Designing focused libraries using MoSELECT

(4) Gillet, Valerie J a Willett, Peter a Fleming, Peter J a Green, Darren V S b

a UNIVERSITY OF SHEFFIELD (United Kingdom)

b GLAXOSMITHKLINE (United Kingdom)

Author keywords

Combinatorial library design; Focused libraries; MOGA; MoSELECT; Multiobjective optimisation

Indexed keywords

COMPUTER AIDED DESIGN; GENETIC ALGORITHMS; OPTIMIZATION;

COMBINATORIAL LIBRARIES;

MOLECULAR GRAPHICS;

ALGORITHM; BIOAVAILABILITY; COMBINATORIAL LIBRARY; CONFERENCE PAPER; COST; EXPERIMENTAL DESIGN; GENETIC ANALYSIS; INFORMATION SYSTEM; METHODOLOGY; MOLECULAR MODEL; PRIORITY JOURNAL; VIRTUAL REALITY; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMBINATORIAL CHEMISTRY; COMPUTER PROGRAM; DRUG ANTAGONISM; DRUG DESIGN; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

HYPSOPHRYS NICARAGUENSIS;

2-AMINOTHIAZOLE; AMIDE; AMINOTHIAZOLE; HELICASE; PEPTIDE LIBRARY; THIAZOLE DERIVATIVE;

ALGORITHMS; AMIDES; COMBINATORIAL CHEMISTRY TECHNIQUES; DNA HELICASES; DRUG DESIGN; MOLECULAR STRUCTURE; PEPTIDE LIBRARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; THIAZOLES;

EID: 0036010698 PISSN: 10933263 EISSN: None Source Type: Journal
DOI: 10.1016/S1093-3263(01)00150-4 Document Type: Conference Paper

Times cited : (68)

References (23)

1
- 0003989041
- Kluwer Academic Publishers, Dordrecht
- (1999) Molecular Diversity in Drug Design
- Dean, P.M.¹ Lewis, R.A.²

2
- 0642332202
- Computational methods for the analysis of molecular diversity
- (1997) Perspect. Drug Discov. Design , pp. 7-8
- Willett, P.¹

3
- 0003615947
- VCH, Weinheinm
- (2000) Virtual Screening for Bioactive Molecules
- Bohm, H.-J.¹ Schneider, G.²

4
- 0034237264
- Diversity screening versus focused screening in drug discovery
- (2000) Drug Discov. Today , vol.5 , pp. 286-293
- Valler, M.J.¹ Green, D.²

5
- 0032600672
- Beyond mere diversity: Tailoring combinatorial libraries for drug discovery
- (1999) J. Comb. Chem. , vol.1 , pp. 32-45
- Martin, E.J.¹ Crichlow, R.W.²

6
- 0036489455
- Combinatorial library design using a multiobjective genetic algorithm
- in press
- J. Chem. Inf. Comput. Sci.
- Gillet, V.J.¹ Khatib, W.² Willett, P.³ Fleming, P.J.⁴ Green, D.V.S.⁵

7
- 2042518131
- International Patent Application No. PCT/G1301/05347

8
- 15844383852
- Selecting combinatorial libraries to optimise diversity and physical properties
- (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 167-177
- Gillet, V.J.¹ Willett, P.² Bradshaw, J.³ Green, D.V.S.⁴

9
- 0000528756
- The effectiveness of reactant pools for generating structurally diverse combinatorial libraries
- (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 731-740
- Gillet, V.J.¹ Willett, P.² Bradshaw, J.³

10
- 0033668809
- Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries
- (2000) Perspect. Drug Discov. Design , vol.20 , pp. 265-287
- Gillet, V.J.¹ Nicolotti, O.²

11
- 0033630524
- Evaluation of reagent-based and product-based strategies in the design of combinatorial library subsets
- (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 63-70
- Jamois, E.A.¹ Hassan, M.² Waldman, M.³

12
- 0033654770
- PICCOLO: A tool for combinatorial library design via multicriterion optimization
- R.B. Atlman, A.K. Dunkar, L. Hunter, K. Lauderdale, T.E. Klein (Eds.), World Scientific, Singapore
- (2000) Proceedings of the Pacific Symposium on Biocomputing 2000 , pp. 588-599
- Zheng, W.¹ Hung, S.T.² Saunders, J.T.³ Seibel, G.L.⁴

13
- 0034351502
- Combinatorial library design for diversity, cost efficiency, and drug-like character
- (2000) J. Mol. Graphics Modell. , vol.18 , pp. 427-437
- Brown, J.D.¹ Hassan, M.² Waldman, M.³

14
- 0034351492
- Kolmogorov-Smirnov statistic and its application in library design
- (2000) J. Mol. Graphics Modell. , vol.18 , pp. 368-382
- Rassokhin, D.N.¹ Agrafiotis, D.K.²

15
- 0031552362
- Development and validation of a genetic algorithm for flexible docking
- (1997) J. Mol. Biol. , vol.267 , pp. 727-748
- Jones, G.¹ Willett, P.² Glen, R.C.³ Leach, A.R.⁴ Taylor, R.⁵

16
- 0000443219
- PLUMS: A program for the rapid optimization of focused libraries
- (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 1441-1448
- Bravi, G.¹ Green, D.V.S.² Hann, M.A.³ Leach, A.R.⁴

17
- 0002629429
- An overview of evolutionary algorithms in multiobjective optimization
- K. De Jong (Ed.), The Massachusetts Institute of Technology
- (1995) Evolutionary Computation , vol.3 , pp. 1-16
- Fonseca, C.M.¹ Fleming, P.J.²

18
- 0001953837
- Genetic algorithms for multiobjective optimization: Formulation, discussion and generalisation
- S. Forrest (Ed.), Morgan Kaufmann, San Mateo, CA
- (1993) Proceedings of the Fifth International Conference on Genetic Algorithms , pp. 416-423
- Fonseca, C.M.¹ Fleming, P.J.²

19
- 2042427642
- The Available Chemicals Directory is available from MDL Information Systems Inc., 146000 Catalina Street, San Leandro, CA 94577

20
- 0033217178
- Implementation of a system for reagent selection, library enumeration, profiling and design
- (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 1161-1172
- Leach, A.R.¹ Bradshaw, J.² Green, D.V.S.³ Hann, M.⁴ Delany J.J. III⁵

21
- 2042493500
- Daylight Chemical Information Inc., Santa Fe, NM 87501

22
- 2042430188
- The World Drug Index is available from Derwent Information, 14 Great Queen St., London, WC2B 5DF, UK

23
- 0034729673
- QSAR model for drug human oral bioavailability
- (2000) J. Med. Chem. , vol.43 , pp. 2575-2585
- Yoshida, F.¹ Topliss, J.G.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.