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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 6.

Figure 6.

Iso-table comparisons showing the top 9 scoring TAIL fragments (tan) in relationship to the HEAD fragment (green) for the benzene sidechain (sid.7) for the three different iso-libraries: (a) HMS/HMS, (b) VOH/VOH, and (c) VOH/TAN. The numerical scores used for ranking and the frequency of occurrence for each fragment in the ZINC13M library are listed below each entry. HMS scores range from −5 (most similar) to ∞, VOH score range from 0 to 1 (most similar), TAN scores range from 0 to 1 (most similar). Colored squares indicate iso-table entries in common. The overlapped fragments from each example are also shown.