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Structure-based de novo drug design using 3D deep generative models

Deep generative models are attracting much attention in the field of de novo molecule design. Compared to traditional methods, deep generative models can be trained in a fully data-driven way with little requirement for expert knowledge. Although many models have been developed to generate 1D and 2D...

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Detalles Bibliográficos
Autores principales: Li, Yibo, Pei, Jianfeng, Lai, Luhua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8549794/
https://www.ncbi.nlm.nih.gov/pubmed/34760151
http://dx.doi.org/10.1039/d1sc04444c