epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Marksuh search with bingo postgreSQL #1902

Open Vihuhol18 opened 3 months ago

Vihuhol18 commented 3 months ago

Steps to Reproduce

  1. PostgreSQL 15.4 Bingo 1.9.1.587-g0e3666ae7
  2. select * from structures where smiles@('C1C(*)=CC(*)=CC=1 |$;;X_p;;;Q_e;;$|', '')::bingo.sub

Expected behavior Fast request processing speed close to processing with * (select * from structures where smiles@('C1C(*)=CC(*)=CC=1', '')::bingo.sub)

Actual behavior Slow query execution. Searching for 10 Markush structures takes about a minute. Searching 10,000 structures with * takes about 30 seconds

Environment details: x86_64-pc-linux-gnu, compiled by gcc (Debian 10.2.1-6) 10.2.1 20210110, 64-bit

Additional context The documentation does not contain an example of a correct query for searching using the Markush structure https://lifescience.opensource.epam.com/bingo/user-manual-oracle.html#queries