Optiverse library diversity

The selections of compounds are made using a variety of methods, such as dissimilarity selection (16), optiverse library selection (17), Jarvis-Park clustering (18), and cell-based methods (19). All these methods attempt to choose a set of compounds that represent the molecular diversity of the available compounds as efficiently as possible. A consequence of this is that only a few compounds around any given molecular scaffold may be present in a HTS screening... 

Synthesized libraries of compounds such as Optiverse are not the only source of new leads. Natural products also play an important role in lead discovery. There are numerous examples where natural products have led to the discovery of new drugs. It is also clear that they represent an inexpensive source of nature s molecular diversity in a lead discovery program. However, a key limitation that must be overcome if leads are to be developed into drugs is they are usually difficult to synthesize, thereby making it more resource-intensive to generate related compounds with better properties. 

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