Topic: substructure search

Articles filed under "substructure search".

• By Anton Siomchen/

  23 Sep, 2026

  cheminformatics · RDKit

  Faster substructure search with roaring bitmaps and an inverted index

  Benchmarking naive scans, pattern fingerprints, roaring bitmaps, PostgreSQL, and inverted indexes for matching SMARTS queries against molecules.

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