Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy Differences
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- Sereina Riniker
- Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
収録刊行物
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- Journal of Chemical Information and Modeling
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Journal of Chemical Information and Modeling 57 (4), 726-741, 2017-04-12
American Chemical Society (ACS)