Skip to main content
Figure 3 | Journal of Cheminformatics

Figure 3

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

Figure 3

Difference in MCC caused by the inclusion of additional receptors in the profile for a) actives/true inactives, b) actives/DUDs, c) actives/ZINC cmds discrimination. The figure presents the changes in MCC obtained after the inclusion of additional receptors in the SIFt profile for homology models constructed on M2R and D3R templates. The introduction of the best model in terms of the AUROC values is indicated by lighter colour.

Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us