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Comprehensive Exploration of Target‐specific Ligands Using a Graph Convolution Neural Network

Machine learning approaches are widely used to evaluate ligand activities of chemical compounds toward potential target proteins. Especially, exploration of highly selective ligands is important for the development of new drugs with higher safety. One difficulty in constructing well‐performing model...

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Библиографические подробности
Опубликовано в: :Mol Inform
Главные авторы: Miyazaki, Yu, Ono, Naoaki, Huang, Ming, Altaf‐Ul‐Amin, Md., Kanaya, Shigehiko
Формат: Artigo
Язык:Inglês
Опубликовано: John Wiley and Sons Inc. 2019
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7050504/
https://ncbi.nlm.nih.gov/pubmed/31815371
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201900095
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