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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...
Autores principales: | Li, Yibo, Pei, Jianfeng, Lai, Luhua |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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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 |
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