Molecular generation strategy and optimization based on A2C reinforcement learning in de novo drug design

MOTIVATION: In the field of pharmacochemistry, it is a time-consuming and expensive process for the new drug development. The existing drug design methods face a significant challenge in terms of generation efficiency and quality. RESULTS: In this paper, we proposed a novel molecular generation stra...

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Detalles Bibliográficos
Autores principales: Wang, Qian, Wei, Zhiqiang, Hu, Xiaotong, Wang, Zhuoya, Dong, Yujie, Liu, Hao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10689670/
https://www.ncbi.nlm.nih.gov/pubmed/37971970
http://dx.doi.org/10.1093/bioinformatics/btad693

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10689670/
https://www.ncbi.nlm.nih.gov/pubmed/37971970
http://dx.doi.org/10.1093/bioinformatics/btad693

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