General diverse library

The initial drive of Tripos s [68] first products in this field seemed to be towards the analysis, design and management of large, generally diverse libraries. The company have also been active in deriving new descriptors (section 2.3.1), and in trying to determine and validate a best set of descriptors to describe absolute diversity [69]. Modules are available for deriving SARs (particularly the CoMFA method), so the basic tools for... 

In general, larger libraries, other than those of Pharmacopeia and Houghten, have tended to be in the range of 5000 to 15000 compounds, particularly if the enhre library was purified and stored as individual compounds. The same methods and algorithms as for diverse library design apply here. However, it now becomes possible... 

General screening for lead identification screening a diverse library is a sensible approach when little or nothing is known about the target or possible lead compounds. 

The definition of fragment varies, but usually refers to molecules with a molecular weight less than 200-300 Daltons and consisting of fewer than 15-20 heavy atoms.9,10 A small ( 50 000 member) diverse library is generally sufficient for high throughput screening to yield a low affinity hit. 

Diversity-based Design of General Screening Libraries... 

For this reason the appropriate molecular representation for diversity or similarity examination of a combinatorial library varies and depends on the purpose of library (e.g., general screening library, lead evaluation Hbrary, lead optimization library, etc.). 

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