Diversity, combinatorial libraries

J, P Willett and J Bradshaw 1997. The Effectiveness of Reactant Pools for Generating turally Diverse Combinatorial Libraries. Journal of Chemical Information and Computer Science 11-740. 

VI Gillet, P Willett, I Bradshaw. The effectiveness of reactant pools for generating structurally-diverse combinatorial libraries. I Chem Inf Comput Sci 37 731-740, 1997. 

To summarize this section, several research groups have effectively exploited parallels between SwAr strategies leading to [6,7]- and [6,6]-ben-zofused heterocycles and have described complementary reaction protocols suitable for generating diverse combinatorial libraries of benzothiazin-3-ones and quinoxalin-2-ones. 

Weber, L. (2000) High-diversity combinatorial libraries. Curr. Opin. Chem. Biol. 4, 295-302. 

To test the new strains for enhanced permeability to small-molecular-weight inhibitors, SKY54 and SKY 197 and their parental strains were incubated with various concentrations of selected antifungal compounds, and with a diverse combinatorial library of uncharacterized compounds. 

Gillet, V.J., Willett, P. and Bradshaw, J. The Effectiveness ofReactant Pools for Generating Structurally-Diverse Combinatorial Libraries. J. Chem. Inf. Comput. Sci., 1997,37,731-740. 

Another aspect in many companies is the diversity of the compound pool. Typically, it contains many molecules with high structural similarity because they were prepared during lead optimization in which only slight variations on the architecture of the molecules were performed. The design and synthesis of diverse combinatorial libraries according to computational methods described in Chapter 1.6, and may contribute towards improving the overall diversity of a compound collection with respect to lead finding. 

Rigorous validation of all building blocks is required for a highly diverse combinatorial library to have good yield and purity. In the course of vali-... 

Effectiveness Of Reactant Pools Lor Generating Structurally-Diverse Combinatorial Libraries. 

The descriptor uses readily calculable physicochemical properties from the topological structure. The descriptors used in this study were atomic weight, hydropho-bicity, molecular refractivity, atomic charge, polar surface area, hydrogen bond acceptors, and hydrogen bond donors. The authors note that Martin et al. [32] applied a similar approach for the design of diverse combinatorial libraries. 

Krchnak, V., Wichsel, A., Cabel, D., and Lebl, M. (1995) Linear presentation of variable side-chain spacing in a highly diverse combinatorial library. Pept. Res. 8, 198-205. 

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