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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: The chemfp project

Fig. 3

Single query search times for chemfp 3.3. Boxen plots for k = 2, 10, 100, and 1000 nearest-neighbor and threshold = 0.95, 0.80, 0.70, and 0.40 searches of ChEMBL 24 and PubChem (downloaded 2018-12-07). Each search samples 1000 fingerprints to use as queries so each query is always found in the result. Python’s garbage collector was disabled for each timing as it adds a roughly 25 ms delay about every 1000 timings. The T = 0.40 PubChem search could not be run due to insufficient memory

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