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Analytical Chemistry

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Graph convolutional networks (GCN)

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3 results in Keywords: Graph convolutional networks (GCN)

Theoretical and Computational Chemistry

Using Domain-specific Fingerprints Generated Through Neural Networks to Enhance Ligand-based Virtual Screening.

Janosch Menke, Oliver Koch

Version 1 posted 31 August 2020

821

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1

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Theoretical and Computational Chemistry

PASSer: Prediction of Allosteric Sites Server

Hao Tian, Xi Jiang, Peng Tao

Version 2 posted 16 December 2020

529

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Theoretical and Computational Chemistry

AI-Driven Synthetic Route Design with Retrosynthesis Knowledge

Shoichi Ishida, Kei Terayama, Ryosuke Kojima, Kiyosei Takasu, Yasushi Okuno

Version 1 posted 18 December 2020

937

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1

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