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Theoretical and Computational Chemistry

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graph convolutional network

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2 results in Keywords: graph convolutional network

Theoretical and Computational Chemistry

L-MolGAN: An improved implicit generative model for large molecular graphs

Yutaka Tsujimoto, Satoru Hiwa, Yushi Nakamura, Yohei Oe, Tomoyuki Hiroyasu

Version 3 posted 17 May 2021

2,000

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Theoretical and Computational Chemistry

Feature selection in molecular graph neural networks based on quantum chemical approaches

Daisuke Yokogawa, Kayo Suda

Version 3 posted 19 January 2023

421

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