MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules

Artificial intelligence (AI)-based molecular design methods, especially deep generative models for generating novel molecule structures, have gratified our imagination to explore unknown chemical space without relying on brute-force exploration. However, whether designed by AI or human experts, the...

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Detalles Bibliográficos
Autores principales: Liu, Xiaohong, Zhang, Wei, Tong, Xiaochu, Zhong, Feisheng, Li, Zhaojun, Xiong, Zhaoping, Xiong, Jiacheng, Wu, Xiaolong, Fu, Zunyun, Tan, Xiaoqin, Liu, Zhiguo, Zhang, Sulin, Jiang, Hualiang, Li, Xutong, Zheng, Mingyue
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10082991/
https://www.ncbi.nlm.nih.gov/pubmed/37031191
http://dx.doi.org/10.1186/s13321-023-00711-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10082991/
https://www.ncbi.nlm.nih.gov/pubmed/37031191
http://dx.doi.org/10.1186/s13321-023-00711-1

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