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Differentiable Scaffolding Tree for Molecule Optimization

Tianfan Fu, Wenhao Gao, Cao Xiao, Jacob Yasonik, Connor W. Coley, Jimeng Sun. Differentiable Scaffolding Tree for Molecule Optimization. In The Tenth International Conference on Learning Representations, ICLR 2022, Virtual Event, April 25-29, 2022. OpenReview.net, 2022. [doi]

Authors

Tianfan Fu

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Wenhao Gao

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Cao Xiao

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Jacob Yasonik

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Connor W. Coley

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Jimeng Sun

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