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Absolute error in calculated log S0 for succinic acid, desloratadine, and coronene. The physics-based predictions of solubility use the PBE/6-311++G(2d,p)/PCM sublimation free energies and the PBE/6-311++G(2d,p)/SMD (orange), PBE0/6-311++G(2d,p)/SMD (blue), PBE0-DH/6-311++G(2d,p)/SMD (green), or MD/FEP (black) hydration free energies. The machine learning predictions use the Extra Trees algorithm (yellow).
