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. Author manuscript; available in PMC: 2025 Apr 15.
Published in final edited form as: Chem Res Toxicol. 2024 Mar 18;37(4):600–619. doi: 10.1021/acs.chemrestox.3c00411

Figure 4.

Figure 4

Pairwise distance matrix for structure pairs (Morgan fingerprints, radius 3, 2,048 bits). Darker color corresponds to smaller structural distance. The structures are arranged according to the group they belong to and in the same order for both rows and columns. Only groups with at least 10 structures are included. To improve readability, the group names are only shown for groups with at least 30 structures (Figure S7 in the SI includes all group names). The group names are prepended with the group number.