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. 2022 Aug 31;62(17):3970–3981. doi: 10.1021/acs.jcim.2c00602

Figure 9.

Figure 9

Hits found after 8 active learning batches for each acquisition metric on the PubChem 1347160 data set with different levels of noise. Noise added using eq 3 and the indicated values for α. Results show the mean of 10 runs, and the error bars indicate the standard deviation. Acquisition metrics: greedy, random, UCB - upper confidence bound, EI - expected improvement, PI - predicted improvement.