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Multi-channel PINN: investigating scalable and transferable neural networks for drug discovery

Analysis of compound–protein interactions (CPIs) has become a crucial prerequisite for drug discovery and drug repositioning. In vitro experiments are commonly used in identifying CPIs, but it is not feasible to discover the molecular and proteomic space only through experimental approaches. Machine...

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Detalles Bibliográficos
Autores principales: Lee, Munhwan, Kim, Hyeyeon, Joe, Hyunwhan, Kim, Hong-Gee
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6617572/
https://www.ncbi.nlm.nih.gov/pubmed/31289963
http://dx.doi.org/10.1186/s13321-019-0368-1