Skip to main content
. 2021 Aug 5;1(10):1612–1620. doi: 10.1021/jacsau.1c00246

Figure 3.

Figure 3

Effects of global reactivity attention (GRA). In example 1, the reaction centers predicted with and without GRA are the same, and in example 2, the reaction centers predicted with and without GRA are different. In the cases with GRA, chemical units highlighted (attended) are denoted as shaded circles in red. The expected product using the predicted reactants is obtained by Molecular Transformer (MT).27