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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 5:

Figure 5:

Pearson’s R on the Schindler et al.2 external dataset. We evaluate with and without finetuning (0). FEP+ performance given by Schindler et al.2. Max is the maximum possible correlation given the error in the experimental assay.