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Analytical Chemistry

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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Molecule Generation

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5 results in Keywords: Molecule Generation

Theoretical and Computational Chemistry

Multi-Resolution Autoregressive Graph-to-Graph Translation for Molecules

Wengong Jin, Regina Barzilay, Tommi S Jaakkola

Version 1 posted 13 June 2019

1,260

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3

Citations

Biological and Medicinal Chemistry

ChemSpacE: Interpretable and Interactive Chemical Space Exploration

Yuanqi Du, Xian Liu, Nilay Shah, Shengchao Liu, Jieyu Zhang, Bolei Zhou

Version 3 posted 05 October 2022

1,467

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2

Citations

Theoretical and Computational Chemistry

Masked Graph Modeling for Molecule Generation

Omar Mahmood, Elman Mansimov, Richard Bonneau, Kyunghyun Cho

Version 3 posted 01 April 2021

1,057

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Analytical Chemistry

GenUI: Interactive and Extensible Open Source Software Platform for De Novo Molecular Generation

Martin Šícho, Xuhan Liu, Daniel Svozil, Gerard van Westen

Version 2 posted 08 June 2021

1,103

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Biological and Medicinal Chemistry

MolScore: A scoring and evaluation framework for de novo drug design

Morgan Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

Version 2 posted 05 March 2024

994

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