Predicting protein network topology clusters from chemical structure using deep learning

Comparing chemical structures to infer protein targets and functions is a common approach, but basing comparisons on chemical similarity alone can be misleading. Here we present a methodology for predicting target protein clusters using deep neural networks. The model is trained on clusters of compo...

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Detalles Bibliográficos
Autores principales: Sreenivasan, Akshai P., Harrison, Philip J, Schaal, Wesley, Matuszewski, Damian J., Kultima, Kim, Spjuth, Ola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9284831/
https://www.ncbi.nlm.nih.gov/pubmed/35841114
http://dx.doi.org/10.1186/s13321-022-00622-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9284831/
https://www.ncbi.nlm.nih.gov/pubmed/35841114
http://dx.doi.org/10.1186/s13321-022-00622-7

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