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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 7.

Figure 7.

Log AUC before and after strain filtering of 40 systems. Blue is the data before strain filtering. Thirty targets improved at a total strain threshold of 7.0 TEU (orange), while 27 improved at a maximum single strain threshold of 1.8 TEU (green).