GADD
MUG'01 -- 6-9 March 2001 -- Santa Fe, NM
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Jeremy Yang
Conclusions
A large druglike virtual database of novel compounds can be constructed from "spare parts" by GADD.
Chemical space, even the druglike subset, continues to be
very big
.
The Daylight Toolkit is well suited to implementing a complex, flexible and extensible GA.
The utility of the resulting databases is not yet shown.
Download GADD from contrib.
MUG'01 -- 6-9 March 2001 -- Santa Fe, NM
Daylight Chemical Information Systems Inc.
info@daylight.com