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. Author manuscript; available in PMC: 2023 Jan 31.
Published in final edited form as: Chem Res Toxicol. 2020 Dec 21;34(2):495–506. doi: 10.1021/acs.chemrestox.0c00322

Figure 3:

Figure 3:

Graph definition of ethionamide. Gm represents the entire graph structure, xa and yb refer to the atom and bond features that associates with each atom and bond, respectively.