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

Figure 5.

Figure 5

Case 3. 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. All undesirable substances are starting materials.