G - Physics – 01 – N
Patent
G - Physics
01
N
G01N 33/48 (2006.01) G01N 33/50 (2006.01) G06F 7/00 (2006.01) G06G 7/48 (2006.01)
Patent
CA 2542343
A method for partitioning a molecular subset is described. The partitioning method takes into account molecular structure and its manner of storage and transmission, transformations to be applied to the molecular subset and their implementation, and constraints imposed by the implementation of the partitioning method. Using this method, a molecular subset can be stored, transmitted, and processed more efficiently. The resulting efficiency makes it possible to design and run applications which require complex molecular processing, such as rational drug discovery, virtual library design, etc.
L'invention concerne un procédé destiné à fragmenter un sous-ensemble moléculaire. Ce procédé de fragmentation prend en compte la structure moléculaire et son mode de stockage et de transmission, les transformations à appliquer au sous-ensemble moléculaire et leur mise en oeuvre, et les contraintes imposées par la mise en oeuvre du procédé de fragmentation. Ce procédé permet de stocker, transmettre et traiter un sous-ensemble moléculaire avec une efficacité accrue. L'efficacité résultante permet de concevoir et de réaliser des applications requérant un traitement moléculaire complexe, telles que la mise au point rationnelle de médicaments, la conception de bibliothèques virtuelles, etc.
Ahuja Sachin
Fodor Eniko
Kita David
Prakash Adityo
Smart & Biggar
Verseon Llc
LandOfFree
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