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. 2021 Jun 18;12:3584. doi: 10.1038/s41467-021-23724-6

Fig. 2. Comparison of experimentally determined and predicted solvation free energies for various solvation models.

Fig. 2

The results show a higher correlation between the experimentally determined and predicted data for the proposed machine learning solvation models compared to the SMD or COSMO-RS models.