Table 1.

The details of the Loose and Rigorous filtering options

	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)

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