Predictive method for polymers

Details Predictive method for polymers Predictive method for polymers

G - Physics

06

F

G06F 19/00 (2011.01) C08G 77/46 (2006.01)

Patent

CA 2424578

The present invention relates to a computational method for predicting a desired property and/or performance of polymers, and/or identifying and designing polymers that provide said desired property and/or performance, wherein the desired property can be provided by the neat, undiluted polymers, or diluted polymers in a composition. The method is a QSAR approach wherein the descriptors used are structural descriptors which are experimentally generated and/or derived from one or more analytical methods.

La présente invention concerne un procédé informatique permettant la prédiction d'une propriété et/ou de l'efficacité souhaitée, et/ou l'identification et la conception de polymères procurant ladite propriété et/ou ladite efficacité, dans lequel la propriété souhaitée peut être obtenue par des polymères purs dilués ou non dilués dans une composition. Le procédé consiste en une démarche de rapport constitution-activité quantitatif dans laquelle les descripteurs utilisés sont des descripteurs structurels qui sont générés de manière expérimentale et/ou dérivés d'une ou de plusieurs méthodes d'analyse.

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