Appeal 2007-0537
Application 10/102,902
STATEMENT OF THE CASE
The field of the invention is field-based similarity search systems, i.e.,
three dimensional searching, and methods used to “identify molecules that
have a similar function to a molecule known to be active towards a
biological target or that elicits a biological response of interest.”
(Specification (hereafter “Spec.”) 1-2, 11.) “Several conventional
superposition methods . . . are field-based.” (Id. at 5.)
Appellants’ presently claimed system is designed “based on a
similarity of fragment pair features” between a “query molecule” and a
“candidate molecule” using “context-adaptive scaling” of fragment pair
“descriptors” to “tune the weights of the various feature components based
on examples relevant to the particular context under investigation.” (Id. at
6-7, 17.)
Representative claim 1 reads:
1. A field-based similarity search system, comprising:
a database for storing data pertaining to at least one
candidate molecule;
an input device for inputting data pertaining to a query
molecule;
a processor which identifies a candidate molecule
which is similar to said query molecule by:
identifying features of a candidate molecule fragment
pair which correspond to features of a query molecule
fragment pair; and
aligning said candidate molecule fragment pair to said
query molecule based on said corresponding features; and
a display device for displaying an output of said
processor,
2
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