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Test Results VI
Updating a Fingerprint Index
A Fingerprint column can be maintained automatically using a trigger:
CREATE OR REPLACE TRIGGER demo_trigger
BEFORE INSERT ON demo_structures
FOR EACH ROW
BEGIN
:new.fp := ddpackage.fsmi2fp(:new.smiles, 2, 7, 512);
END;
Filling a table with 10’000 structures takes 81 seconds.
Adding the index requires 5.5 seconds.
Loading 1000 additional records from Spresi while maintaining the index then takes 70.25 seconds, 3 times as fast as for SMILES index.
=> Same conclusions as for SMILES index, but note that
recreation of index is MUCH faster.
Notes: