Table 1 The results of retrosynthesis on USPTO_full dataset

From: Single-step retrosynthesis prediction by leveraging commonly preserved substructures

  1. Templ. reaction templates used, Map. atom-mapping information used.
  2. aSubstructures are all correct.
  3. bInvalid reactions are excluded from the test set.
  4. cResults on data with substructures.
Back to article page