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"Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To ..."

Sereina Riniker (2017)

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DOI: 10.1021/ACS.JCIM.6B00778

access: closed

type: Journal Article

metadata version: 2020-03-06

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Sereina Riniker:
Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy Differences. J. Chem. Inf. Model. 57(4): 726-741 (2017)

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