Fig. 3: The results of active-learning for training LocalMapper in this work.
From: Precise atom-to-atom mapping for organic reactions via human-in-the-loop machine learning
a The statistics of active learning from iteration n = 1 to 5. b A nucleophilic methylation reaction sampled from active-learning at n = 1. c A nucleophilic acyl substitution reaction sampled from active-learning at n = 3. d A thiazole synthesis reaction was sampled from active-learning at n = 5. Molecules without AAMs are removed in the depiction for reading clarity. Source data are provided as a Source data file.
