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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...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2023
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| Materias: | |
| 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 |