Ongoing Work:

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:
SMARTS Query:	Count of Hits:	Elapsed Time:
s1cccc1	902	0.66s (3.3s)
c1ccccc1	1178	6.1s (46.3s)
Fc1ccccc1O	126	0.21s (0.51s)
n1cccccc1	15	0.18s (8.4s)
O=C	1180	7.3s (32.7s)

NOTE: Searches on Onyx/IRIX6.4/4xR10000x195Mhz.
Times in parentheses for 220K molecule database.