Skip to main content
. 2022 Apr 19;62(9):2226–2238. doi: 10.1021/acs.jcim.1c01202

Figure 6.

Figure 6

Case 4. Reaction nodes are represented by squares, whereas substance nodes, by circles. Color code of the substance nodes: green, target molecule; yellow, starting material; magenta outline, undesirable substance; white, intermediate. (A) Original synthesis graph. The single undesirable substance is a starting material. (B) Pruned synthesis graph.