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. Author manuscript; available in PMC: 2022 Sep 27.
Published in final edited form as: J Chem Inf Model. 2021 Sep 1;61(9):4331–4341. doi: 10.1021/acs.jcim.1c00368

Figure 2.

Figure 2.

D4 receptor hit rates of strained (blue) and nonstrained (green) compounds at different thresholds, measured in TEU. For the total energy category, 6.0 TEU appears to be a good threshold. For the maximum single energy category, 1.8 TEU appears to be a good choice.