Figure 3. Examples of pharmacophores used in ligand-based virtual screening.
(A) A pharmacophore produced by Catalyst. Blue sphere: hydrophobic feature; green sphere: hydrogen-bond acceptor; purple sphere: hydrogen-bond donor; black sphere: excluded volume. (B) A pharmacophore produced by Phase. Light red sphere: hydrogen-bond acceptor; light blue sphere: hydrogen-bond donor; green sphere: hydrophobic feature; red sphere: negative feature; orange torus: aromatic ring.