Data processing: structural design – modeling – simulation – and em – Simulating nonelectrical device or system – Biological or biochemical
Reexamination Certificate
2005-02-01
2005-02-01
Homere, Jean R. (Department: 2128)
Data processing: structural design, modeling, simulation, and em
Simulating nonelectrical device or system
Biological or biochemical
C703S002000, C702S019000, C702S022000, C702S027000, C435S194000, C435S007200
Reexamination Certificate
active
06850876
ABSTRACT:
A cell-based binning method (“Data Driven” binning method) allows the inclusion of all molecules, generates a high percentage of occupied cells, and provides adequate division of the molecules in the low-dimensional subspaces (typically all one-dimension (1-D), two-dimension (2-D), and three-dimension (3-D) subspaces). A chemical space coverage criterion (“Uniform Cell Coverage (UCC)” criterion) measures the uniformity of coverage of the molecules selected. A fast exchange design algorithm (“fast exchange UCC” algorithm) that minimizes the number of searches of the candidate points while maximizing the number of exchanges during each pass through the candidate points. This method is many times faster than previous exchange algorithms and generates designs with good coverage properties.
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Lam Raymond L. H.
Welch William J.
Young Sidney Stanley
Conger Michael M.
Ferris Fred
Homere Jean R.
Smithkline Beecham Corporation
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