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"Combining Molecular Dynamics and Machine Learning to Predict ..."
Julia Gebhardt et al. (2020)
- Julia Gebhardt, Matthias Kiesel, Sereina Riniker
, Niels Hansen
:
Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients. J. Chem. Inf. Model. 60(11): 5319-5330 (2020)
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