"Electron-Passing Neural Networks for Atomic Charge Prediction in Systems ..."

Derek P. Metcalf et al. (2021)

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DOI: 10.1021/ACS.JCIM.0C01071

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type: Journal Article

metadata version: 2023-09-30

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Derek P. Metcalf, Andy Jiang, Steven A. Spronk, Daniel L. Cheney, C. David Sherrill:
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge. J. Chem. Inf. Model. 61(1): 115-122 (2021)

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