RECAP algorithm

Fragment analysis is based on the RECAP algorithm, published in 1998 [55], This retrosynthetic combinatorial analysis starts with a collection of active molecules and then fragments these molecules using any set of retrosynthetic reactions (Figure 8.12). For example, Cisapride is cleaved into four fragments based on three different bond cleavage types. 

The PhlSEM synthesis algorithm was described in detail in Chapter 13, but weTl briefly recap it here. The basic idea is to model the likelihood that a... 

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