Analyzing molecule and protein diversity

G - Physics – 06 – F

Patent

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G06F 17/50 (2006.01)

Patent

CA 2369570

A computer-based method in which a set of con- straints is placed on possible target surfaces, and a fully enumer- ated set of theoretical target surfaces under the given constraints is created, such that each surface has a defined, continuous vol- ume and a defined, continuous surface area. One or more sets of objects are mapped to the fully enumerated set of theoretical target surfaces to define corresponding subsets of the fully enu- merated set of theoretical target surfaces. An aspect of diversity of the objects is analyzed based on degrees of similarities and differences among the corresponding subsets. Image

L'invention concerne un procédé informatisé dans lequel un ensemble de contraintes est imposé à des surfaces cibles possibles, et un ensemble rigoureusement énuméré de surfaces cibles théoriques soumis aux contraintes données, de façon que chaque surface ait un volume continu défini et une aire superficielle continue définie. Au moins un ensemble d'objets est cartographié au niveau de l'ensemble rigoureusement énuméré de surfaces cibles théoriques afin de définir des sous ensembles correspondants de l'ensemble rigoureusement énuméré de surfaces cibles théoriques. Un aspect de diversité des objets est analysé en fonction des degrés de similitudes et de différences entre les sous ensembles correspondants.

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