Ongoing Work:

Transformations and Mixture Processing.

  • The Experiment: "Mixdemo" 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.

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