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Table 1 The details of the Loose and Rigorous filtering options

From: BoBER: web interface to the base of bioisosterically exchangeable replacements

 

Loose filtering

Rigorous filtering

Bioisosteric fragment pair is from the same SCOP family

Both (inter- and intra-family)

Intra-family

Interchangeability of similar join atom types

Irrelevanta

Non-interchangeable join atom types

Consideration of join atoms

Use structures with common core as queries (ignore join atoms)

Use specific structure as query (consider join atoms)

  1. aJoin atoms are ignored when the option Use structures with common core as queries is enabled