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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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Dettagli Bibliografici
Pubblicato in:Mol Inform
Autori principali: Miyazaki, Yu, Ono, Naoaki, Huang, Ming, Altaf‐Ul‐Amin, Md., Kanaya, Shigehiko
Natura: Artigo
Lingua:Inglês
Pubblicazione: John Wiley and Sons Inc. 2019
Soggetti:
Accesso online: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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