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. Author manuscript; available in PMC: 2023 Apr 25.
Published in final edited form as: J Chem Inf Model. 2022 Apr 5;62(8):1819–1829. doi: 10.1021/acs.jcim.1c01497

Figure 4:

Figure 4:

Pearson’s R on both the Mobley et al.22 (BRD4) and Wang et al.7 external datasets. We evaluate with and without finetuning (0). FEP performance as reported in Jiménez-Luna et al.18.