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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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Detalhes bibliográficos
Publicado no:Mol Inform
Main Authors: Miyazaki, Yu, Ono, Naoaki, Huang, Ming, Altaf‐Ul‐Amin, Md., Kanaya, Shigehiko
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2019
Assuntos:
Acesso em linha: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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