Drug discovery stages late stage lead optimization

As the drug discovery process proceeds from early lead discovery through lead optimization and toward candidate selection, the level of purity required of each compound increases. Late-stage compounds may be tested in multiple assays, many of which may involve animal models and may be labor-intensive. Even the best solid phase combinatorial synthesis methods cannot assure that... 

As described previously, virtual screening and in silico design will accelerate the discovery of active lead compounds with new chemical scaffolds. The in silico prediction of physicochemical and ADME (absorption distribution metabolism elimination) properties, however, also are very critical for lead development. Actually, pharmacokinetics and toxicity have been identified as important causes of costly late-stage failures in drug development. The recently developed in silico approaches will increase model productivity in fine-tuned lead optimization to improve compound design and lead optimization. 

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