Method and apparatus for generating polycyclic fragments

Details Method and apparatus for generating polycyclic fragments Method and apparatus for generating polycyclic fragments

G - Physics

06

F

G06F 17/50 (2006.01) C07K 1/00 (2006.01) C07K 1/04 (2006.01) G06F 17/30 (2006.01)

Patent

CA 2332360

According to the present invention, automated techniques for determining molecular structures of polycyclic compounds are provided. More particularly, the present invention provides methods and apparatus for determining the structure of polycyclic chemical compounds using computer based methods to analyze subspecies of molecules, then combine the results from these analyses to determine the structure of the complete molecule.

L'invention concerne des techniques automatisées pour déterminer les structures moléculaires de composés polycycliques. Elle concerne notamment des procédés et un appareil pour déterminer la structure de composés chimiques polycycliques en utilisant des procédés informatisés pour analyser les sous-espèces de molécules puis combiner les résultats de ces analyses pour déterminer la structure de la molécule complète.

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