Combinatorial libraries with optimal ADME properties

DESIGNING COMBINATORIAL LIBRARIES WITH OPTIMAL ADME PROPERTIES 

Combinatorial chemistry has produced libraries that total millions of compounds for example, our collection contained 7.17 million compounds as of May 31, 2000. HTS of these large compound collections allows the rapid search of a much larger region of chemical space for structure-activity relationships than could be searched previously. However, high activity is only 

Activity Abs. Metab. Tox. Excretion Success Rate Selectivity 

FIGURE 2 The required improvements for each desired property for drug discovery and development success rates, assuming that the given property categories and the success rates of those categories are independent of one another. 

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VI. DESIGNING COMBINATORIAL LIBRARIES WITH OPTIMAL ADME PROPERTIES... 

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