Fig. 6. Single-iteration results on Enamine HTS docking data (2.1M) with greedy acquisition. Solid traces: initialization batch size of 0.4% of pool and exploration batch size of 2% of pool. Dashed traces: initialization batch size of 2% of pool and exploration batch size of 0.4% of pool. Error bars reflect ± one standard deviation across three runs. Faded traces: reproduced active learning data from 0.4% experiments (error bars omitted).
