Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Chemical analysis
Reexamination Certificate
2005-10-18
2005-10-18
Hoff, Marc S. (Department: 2857)
Data processing: measuring, calibrating, or testing
Measurement system in a specific environment
Chemical analysis
C702S031000, C702S183000, C702S190000
Reexamination Certificate
active
06957151
ABSTRACT:
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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Cheng Ailan
Merz, Jr. Kenneth M.
Accelrys Software Inc.
Hoff Marc S.
Knobbe Martens Olson & Bear LLP
Suarez Felix
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