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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: Sachem: a chemical cartridge for high-performance substructure search

Fig. 6

Effect of different choices of GraphSize and MinCover parameters on screening performance in Sachem/Lucy. a Increasing the fingerprint parameter GraphSize produces a larger fingerprint and larger indices, but overall performance is improved, thanks to the ability to choose a better set of fingerprints for screening. Note the log-time is plotted. b The same plot illustrating different choices of the MinCover parameter for the query filtering parameter. Unfiltered queries lose performance due to the overhead of storage access. Query filtering reduces this overhead while increasing the rate of false positives, thus increasing verification time. While MinCover = 1 might seem optimal, a larger value is beneficial for processing more complicated queries

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