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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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Bibliografske podrobnosti
izdano v:J Cheminform
Main Authors: Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk, Shin, Kyoham, Kang, Seokho
Format: Artigo
Jezik:Inglês
Izdano: Springer International Publishing 2020
Teme:
Online dostop: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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