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. Author manuscript; available in PMC: 2026 Apr 15.
Published in final edited form as: J Comput Chem. 2026 Jan 15;47(2):e70312. doi: 10.1002/jcc.70312

Figure 5.

Figure 5.

Topological comparisons for three related linkers (methylene, ether, thioether) and three related sidechains (benzene, p-fluorobenzene, p-methylbenzene) and associated Venn diagrams showing the intersections of fragments in the accompanying iso-tables for the top 100 (or max), top 50, and top 20 ranked entries from the HMS/HMS iso-library.