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Compressed graph representation for scalable molecular graph generation

Recently, deep learning has been successfully applied to molecular graph generation. Nevertheless, mitigating the computational complexity, which increases with the number of nodes in a graph, has been a major challenge. This has hindered the application of deep learning-based molecular graph genera...

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Dades bibliogràfiques
Publicat a:J Cheminform
Autors principals: Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk, Shin, Kyoham, Kang, Seokho
Format: Artigo
Idioma:Inglês
Publicat: Springer International Publishing 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7513488/
https://ncbi.nlm.nih.gov/pubmed/33431050
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00463-2
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