Identification of pan-kinase-family inhibitors using graph convolutional networks to reveal family-sensitive pre-moieties

Abstract Background Human protein kinases, the key players in phosphoryl signal transduction, have been actively investigated as drug targets for complex diseases such as cancer, immune disorders, and Alzheimer’s disease, with more than 60 successful drugs developed in the past 30 years. However, ma...

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Detalhes bibliográficos

Principais autores:	Xiang-Yu Lin, Yu-Wei Huang, You-Wei Fan, Yun-Ti Chen, Nikhil Pathak, Yen-Chao Hsu, Jinn-Moon Yang
Formato:	Artigo
Idioma:	Inglês
Publicado em:	BMC 2022-06-01
coleção:	BMC Bioinformatics
Assuntos:	Pan-kinase family inhibitor Graph convolutional network Visualized explanation Gradient-weighted class activation mapping Family-sensitive pre-moiety
Acesso em linha:	https://doi.org/10.1186/s12859-022-04773-0
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