Chemistry libraries

GORE. The CORE Electronic Chemistry Library is a joint project of Cornell University, OCLC (On-line Computer Library Center), Bell Communications Research (Bellcore), and the American Chemical Society. The CORE database will contain the full text of American Chemical Society Journals from 1980, associated information from Chemical Abstracts Service, and selected reference texts. It will provide machine-readable text that can be searched and displayed, graphical representations of equations and figures, and full-page document images. The project will examine the performance obtained by the use of a traditional printed index as compared with a hypertext system (SUPERBOOK) and a document retrieval system (Pixlook) (6,116). 

A Polmski, RD Eemstem, S Shi, A Kuki. LiBrain Software for automated design of exploratory and targeted combinatorial libraries. In IM Chaiken, KD Janda, eds. Molecular Diversity and Combinatorial Chemistry Libraries and Drug Discovery. ACS Conf Proc Ser. Washington, DC Am Chem Soc, 1996, pp 219-232. 

G. Pistoia (Ed.), Lithium Batteries, New Materials, Developments and Perspectives Industrial Chemistry Library, Volume 5, Elsevier, Amsterdam, 1994. 

Davies K. Using pharmacophore diversity to select molecules to test from commercial catalogues. In Chaiken IM and Janda KD, editors. Molecular diversity and combinatorial chemistry. Libraries and drug discovery. Washington DC American Chemical Society, 1996 309-16. 

P. A. Keifer 1998, (New methods for obtaining high resolution NMR spectra of solid-phase-synthesis resins, natural products, and solution-state combinatorial chemistry libraries), Drugs Future 23, 301-307. 

Lazinger, Susan S. The Alexandrian Library and the beginnings of chemistry. Library History Review 2, no. 3 (Sep 1975) 36-47. 

E. Lukevics, Z. V. Belyakova, M. G. Pomerantseva, M. G. Voronkov, in Organometallic Chemistry Review, Journal of Organometallic Chemistry Library 5, Elsevier, Amsterdam 1977, pp. 1 - 179. 

Ghose, A. K, Viswanadhan, V. N., Wendoloski, J. J., A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases, J. Comb. Chem. 1999,... 

Figure 9. A dynamic combinatorial chemistry library used to identify a carbonic anhydrase inhibitor.

Alamgir, M. Abraham, K. M. In Lithium Batteries New Materials, Developments and Perspectives, Industrial Chemistry Library 5 Pistoia, G., Ed. Elsevier New York, 1994 Chapter 3. 

Davies, K. and Briant, C. Combinatorial chemistry library design using pharmacophore diversity. Netw. Sci. 1995, 1. Available at URL http //www.awod.com/netsci/lssues/ July95 /feature6.html. 

Figure 6. Distributions of essential computed molecular properties defining drug-likeness for selected compound sets. Shown are the fraction of compounds vs. the properties. Orange NIBR historical medicinal chemistry collection. Brown Compilation of combinatorial chemistry libraries. Dark Green Drugs (launched or Phase III listed in MDDR or CMC). Brown Compilation from combinatorial libraries. Pink Natural products of DNP. tight Green HTS hits of NIBR 2004 screens. All properties were calculated with Pipeline Pilot software www.scitegic.com).

Chose AK, Viswanadhan VN, Wendoloski JJ. (1999) A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for... 

Key Words Combinatorial chemistry library design simulated annealing diversity analysis targeted library design drug-likeness multicriterion optimization. 

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