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Fig. 2 | BMC Chemistry

Fig. 2

From: Pharmacophore-based virtual screening, molecular docking, and molecular dynamics investigation for the identification of novel, marine aromatase inhibitors

Fig. 2

Pharmacophore models. (1) Ligand-based pharmacophore model. (1.A) Two-dimensional representation of ligand-based pharmacophore mode showcasing important functional groups. (1.B) Three-dimensional representation of ligand-based pharmacophore mode showcasing important functional groups. (1.C) ROC analysis for ligand-based model. (2) Structural-based pharmacophore model. (2.A) Two-dimensional representation of Structural-based pharmacophore mode showcasing important functional groups. (2.B) Three-dimensional representation of structure-based pharmacophore mode showcasing important functional groups. (2.C) ROC analysis for the structure-based model. (3) Merged pharmacophore model. (3.A) Two-dimensional representation of merged model. (3.B) Three-dimensional representation of merged pharmacophore moded. (3.C) ROC analysis for merged model

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BMC Chemistry

ISSN: 2661-801X

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