"Machine Learning of Partial Charges Derived from High-Quality ..."

Patrick Bleiziffer, Kay Schaller, Sereina Riniker (2018)

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DOI: 10.1021/ACS.JCIM.7B00663

access: closed

type: Journal Article

metadata version: 2021-10-14

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Patrick Bleiziffer, Kay Schaller, Sereina Riniker:
Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations. J. Chem. Inf. Model. 58(3): 579-590 (2018)

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