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Considering all partition coefficients measured, we found a root-mean-square error (RMSE) of 1.2 ± 0.2 in GAFF and 1.2 ± 0.1 in GAFF-DC, a Pearson’s correlation coefficient (R) of 0.8±0.1 in both force fields and an average signed error of 0.5±0.1 in GAFF and 0.2±0.1 in GAFF-DC

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