Multiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case study

Table 4 Compound counts for retrospective screening scenarios

Group of compounds	Total number of compounds	Number of compounds after Ligprep
actives	271	550
Inactives	324	601
DUDs	2000	2526
ZINC	2000	2557

ISSN: 1758-2946