Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Biological or biochemical
Reexamination Certificate
2011-08-09
2011-08-09
Zhou, Shubo (Department: 1631)
Data processing: measuring, calibrating, or testing
Measurement system in a specific environment
Biological or biochemical
C702S020000, C703S002000, C703S011000
Reexamination Certificate
active
07996156
ABSTRACT:
Structure-activity methods based on molecular descriptors that are a combination of structural information about the through-space and through-bond relationships between components of a molecule's structure and spectral data attributable to those components are disclosed. In some embodiments, a molecule is described by multiple sets of such descriptors to account for flexibility in the structure of the molecule. In a particularly disclosed embodiment, predicted13C—13C COSY data and13C—13C distance data are used as descriptors. Models of molecular properties may be established using the disclosed spectral data-activity methods and used to predict the properties of molecules.
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Beger Richard D.
Wilkes Jon G.
Klarquist & Sparkman, LLP
The United States of America as represented by the Secretary, De
Zhou Shubo
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