Multiple three-dimensional pharmacophoric

Databases and Searching of Multiple Three-Dimensional Pharmacophoric Patterns... 

Just like structural keys, pharmacophore keys can be readily extended to account for multiple conformations. Three-point pharmacophore keys also lend themselves to visualization in the form of a three-dimensional scatter plot (see Section 5.4). A number of people have followed up Sheridan s work, most notably the groups at Chemical Design, Rhone-Poulenc, and Abbott. ... 

As is the case for structural keys, pharmacophore keys can be readily extended to account for multiple conformations. Additionally, because pharmacophores are two- and three-dimensional objects, they are able to capture information on molecular shape and chirality. Three-point pharmacophore keys also lend themselves well to visualization via three-dimensional scatter plots (see section Visualization without Dimensionality Reduction below). Sheridan s original work has been extended by a number of groups, most notably those at Chemical Design [27], Rhone-Poulenc [30], and Abbott [10]. Davies and Briant [31] have employed pharmacophore keys for similarity/diversity selection using an iterative procedure that takes into account the flexibility of the compounds and the amount of overlap between their respective keys (see section Boolean Logic). 

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