Skip to main content

Table 3 Number of compounds used for the preevaluation of homology models

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

Group of compounds

All

Number of clusters

Number of centroids after Ligprep

Actives

271

81

103

Inactives

324

97

173

Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us