System and method for aqueous solubility prediction

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United States of America Patent

PATENT NO 6957151
APP PUB NO 20030028330A1
SERIAL NO

10195844

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Abstract

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The present teachings describe a solubility prediction approach that is based, in part, upon quantitative-structure property relationships (QSPR). In various embodiments, the solubility prediction methodology comprises identifying a reduced descriptor set from which a solubility equation is derived. The descriptors used in the solubility equation are based upon simplified structural and molecular features which facilitate researcher understanding and solubility model refinement. Moreover, the present teachings provide solubility prediction relationships that may be used to rapidly screen large libraries or collections of compounds.

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Patent OwnerAddress
DASSAULT SYSTEMES AMERICAS CORP175 WYMAN STREET WALTHAM MA 02451

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Cheng, Ailan State College, PA 7 90
Merz, Jr Kenneth M Port Matilda, PA 3 17

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