Kinome-wide polypharmacology profiling of small molecules by multi-task graph isomorphism network approach

Prediction of the interactions between small molecules and their targets play important roles in various applications of drug development, such as lead discovery, drug repurposing and elucidation of potential drug side effects. Therefore, a variety of machine learning-based models have been develope...

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Detalles Bibliográficos
Autores principales: Bao, Lingjie, Wang, Zhe, Wu, Zhenxing, Luo, Hao, Yu, Jiahui, Kang, Yu, Cao, Dongsheng, Hou, Tingjun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Tools
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9939366/
https://www.ncbi.nlm.nih.gov/pubmed/36815050
http://dx.doi.org/10.1016/j.apsb.2022.05.004

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9939366/
https://www.ncbi.nlm.nih.gov/pubmed/36815050
http://dx.doi.org/10.1016/j.apsb.2022.05.004

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