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"DrugEx v3: scaffold-constrained drug design with graph transformer-based ..."

Xuhan Liu et al. (2023)

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DOI: 10.1186/S13321-023-00694-Z

access: open

type: Journal Article

metadata version: 2023-09-30

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  - journals/jcheminf/LiuYVIW23
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  - https://dblp.org/rec/journals/jcheminf/LiuYVIW23
Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen:
DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning. J. Cheminformatics 15(1): 24 (2023)

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