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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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Bibliografski detalji
Izdano u:Mol Inform
Glavni autori: Miyazaki, Yu, Ono, Naoaki, Huang, Ming, Altaf‐Ul‐Amin, Md., Kanaya, Shigehiko
Format: Artigo
Jezik:Inglês
Izdano: John Wiley and Sons Inc. 2019
Teme:
Online pristup: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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