Statistical design and application to combinatorial chemistry

Drug Discovery Today

Volumn 7, Issue 2, 2002, Pages 133-138

  Rose, Sally ^a  

^a BioFocus DPI   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; BIODIVERSITY; COMBINATORIAL CHEMISTRY; DRUG QUALITY; EXPERIMENTAL DESIGN; MEDICAL TECHNOLOGY; METHODOLOGY; REACTION OPTIMIZATION; REVIEW; STATISTICAL MODEL; SYNTHESIS; TIME; ARTICLE; DRUG DESIGN; PHYSICAL CHEMISTRY; COMBINATORIAL LIBRARY; CONFORMATION; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULE; STATISTICAL ANALYSIS;

CHEMISTRY, PHYSICAL; COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG DESIGN; MODELS, STATISTICAL;

REAGENT;

EID: 0037079606     PISSN: 13596446     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1359-6446(01)02093-1     Document Type: Review

References (35)

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4. A scoring scheme for discriminating between drugs and nondrugs
5. Can we learn to distinguish between 'drug-like' and 'nondrug-like' molecules?
6. Computational methods for the prediction of 'drug-likeness'
7. Optimisation of the drug-likeness of chemical libraries
8. Designing libraries with CNS activity
9. A novel chemogenomics knowledge-based ligand design strategy - Application to G protein-coupled receptors
10. Functional diversity of compound libraries
11. The characterization of chemical structures using molecular properties. A survey
12. Property-based design: Optimization of drug absorption and pharmacokinetics
13. A widely applicable set of descriptors
14. Novel software tools for chemical diversity
15. Library design using BCUT chemistry space descriptors and multiple-four-point pharmacophore fingerprints: Simultaneous optimization and structure-based diversity
16. Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection
17. Random or rational design? Evaluation of diverse compound subsets from chemical structure databases
18. 'Scaffold-hopping' by topological pharmacophore search: A contribution to virtual screening
19. Molecular diversity and its analysis
20. Rapid quantification of molecular diversity for selective database acquisition
21. OptiSim: An extended dissimilarity selection method for finding diverse representative subsets
22. Novel algorithms for the optimization of molecular diversity of combinatorial libraries
23. The effectiveness of reactant pools for generating structurally-diverse combinatorial libraries
24. Evaluation of reactant and product-based approaches to the design of combinatorial libraries
25. Statistical molecular design of building blocks for combinatorial chemistry
26. Sensitivity analysis and other improvements to tailored combinatorial library design
27. Designing targeted libraries with genetic algorithms
28. PICCOLO: A tool for combinatorial library design via multicriterion optimization
29. Kolmogorov-Smirnov statistic and its application in library design
30. Applications of random sampling to virtual screening of combinatorial libraries
31. Combinatorial library design for diversity, cost efficiency and drug-like character
32. A new methodology for profiling combinatorial libraries and screening sets: Cleaning up the design process with HARPick
33. PLUMS: A program for the rapid optimization of focused libraries
34. Predictive Array Design™. A method for sampling combinatorial chemistry library space