Method and system for search of implicitly described virtual...

G - Physics – 06 – F

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G06F 17/30 (2006.01) G06F 17/00 (2006.01) G06F 17/50 (2006.01)

Patent

CA 2326134

According to the present invention, efficient and effective techniques for searching for chemical entities having desired properties can be provided. In a particular embodiment according to the present invention, techniques for searching a virtual library of compounds in order to identifiy component reactants which, when combined, can yield compounds having a set of desirable properties are provided. Methods and systems according to the present invention enable researchers and scientists to identify promising new chemical compounds in the search for new and better substances.

La présente invention se rapporte à des techniques efficaces de recherche d'entités chimiques dotées de propriétés souhaitées. Une réalisation particulière de la présente invention se rapporte à des techniques de recherche dans une bibliothèque virtuelle de composés en vue de l'identification de réactifs composants qui, lorsqu'ils sont combinés, peuvent produire des composés présentant un ensemble de propriétés souhaitées. Les méthodes et systèmes de la présente invention permettent aux chercheurs et scientifiques d'identifier de nouveaux composés chimiques prometteurs dans leur recherche de substances nouvelles et plus efficaces.

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