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Comparison between experimental ΔΔG (ΔΔGexp) and scaled calculated ΔΔG (sΔΔGcal). The parameters of the fitting line are provided in the graph. (A) For the training database and the correlation coefficient R is 0.28; (B) for the blind test and the corresponding correlation coefficient R is 0.34; (C) for the entire dataset and the correlation coefficient R is 0.3.
