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Efficient learning of non-autoregressive graph variational autoencoders for molecular graph generation

Abstract With the advancements in deep learning, deep generative models combined with graph neural networks have been successfully employed for data-driven molecular graph generation. Early methods based on the non-autoregressive approach have been effective in generating molecular graphs quickly an...

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Principais autores: Youngchun Kwon, Jiho Yoo, Youn-Suk Choi, Won-Joon Son, Dongseon Lee, Seokho Kang
Formato: Artigo
Idioma:Inglês
Publicado em: BMC 2019-11-01
coleção:Journal of Cheminformatics
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Acesso em linha:http://link.springer.com/article/10.1186/s13321-019-0396-x
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