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"Multi-constraint molecular generation based on conditional transformer, ..."

Jike Wang et al. (2021)

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DOI: 10.1038/S42256-021-00403-1

access: closed

type: Journal Article

metadata version: 2024-08-15

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  - journals/natmi/WangHWWWJLZYHCC21
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  - https://dblp.org/rec/journals/natmi/WangHWWWJLZYHCC21
Jike Wang, Chang-Yu Hsieh, Mingyang Wang, Xiaorui Wang, Zhenxing Wu, Dejun Jiang, Benben Liao, Xujun Zhang, Bo Yang, Qiaojun He, Dongsheng Cao, Xi Chen, Tingjun Hou:
Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning. Nat. Mach. Intell. 3(10): 914-922 (2021)

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