Transformations and Mixture Processing.
The Experiment: "Mixdemo" database.
980 random libraries with 100 members each (Spresi).
200 regular libraries with average of 600 members each.
From a (poorly-designed) 5 x 5 x 5 experiment.
1180 records, 45 MB database (comparable in size to a 220K molecule discreet database).
Substructure Search performance:
Example SSS Queries:
Count of Hits:
NOTE: Searches on Onyx/IRIX6.4/4xR10000x195Mhz.
Times in parentheses for 220K molecule database.