G - Physics – 06 – F
Patent
G - Physics
06
F
G06F 17/30 (2006.01)
Patent
CA 2346013
The present invention discloses a method for classifying a library of chemical compounds and generating new chemical compounds to improve the diversity of the library. More particularly, the present invention creates an extended ring structure classification system, assigns chemical compounds from a library to categories within the classification system, recognizes empty categories, and generates new chemical structures to fill the empty categories in order to improve the range of structures represented by the library.
L'invention concerne un procédé pour établir la classification d'une bibliothèque de composés chimiques et pour générer de nouveaux composés chimiques afin de diversifier cette bibliothèque. L'invention permet notamment de créer un système de classification à structure en cercle élargi, de classer les composés chimiques compris dans la bibliothèque selon certaines catégories, de reconnaître les catégories vides et de générer de nouvelles structures chimiques pour remplir les catégories vides de manière à améliorer la variété des structures représentées dans cette bibliothèque.
de Bie Joannes F. M.
Franken Peter W. M.
Hehenkamp Jurriaan
Krechl Jiri
Wife Richard L.
Osler Hoskin & Harcourt Llp
Specs And Biospecs B.v.
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