Drug discovery stages 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... 

Chemoinformati.cs is involved in the drug discovery process in both the lead finding and lead optimization steps. Artificial neural networks can play a decisive role of various stages in this process cf. Section 10.4.7.1). 

A model for predicting oral bioavailability is an important tool, both in the early phases of drug discovery to select the most promising leads for further optimization, and in the later stages to select candidates for clinical development. The... 

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