Compressed Binary Bit Trees: A New Data Structure For Accelerating Database Searching
Andrew S. Smellie · Journal of Chemical Information and Modeling · 2009
Molecules are often represented as bit string fingerprints in databases. These bit strings are used for similarity searching using the Tanimoto coefficient and rapid indexing. A new data structure is introduced, the compressed bit binary tree, that rapidly increases search and indexing times by up to a factor of 30. Results will be shown for databases of up to 1 M compounds with a variety of search parameters.