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"Simplified, interpretable graph convolutional neural networks for small ..."

Jeffrey K. Weber et al. (2022)

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DOI: 10.1007/S10822-021-00421-6

access: closed

type: Journal Article

metadata version: 2022-08-08

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Jeffrey K. Weber, Joseph A. Morrone, Sugato Bagchi, Jan D. Estrada Pabon, Seung-gu Kang, Leili Zhang, Wendy D. Cornell:
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction. J. Comput. Aided Mol. Des. 36(5): 391-404 (2022)

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