Multi-task learning with a natural metric for quantitative structure activity relationship learning

The goal of quantitative structure activity relationship (QSAR) learning is to learn a function that, given the structure of a small molecule (a potential drug), outputs the predicted activity of the compound. We employed multi-task learning (MTL) to exploit commonalities in drug targets and assays....

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Detalles Bibliográficos
Autores principales: Sadawi, Noureddin, Olier, Ivan, Vanschoren, Joaquin, van Rijn, Jan N., Besnard, Jeremy, Bickerton, Richard, Grosan, Crina, Soldatova, Larisa, King, Ross D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6852942/
https://www.ncbi.nlm.nih.gov/pubmed/33430958
http://dx.doi.org/10.1186/s13321-019-0392-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6852942/
https://www.ncbi.nlm.nih.gov/pubmed/33430958
http://dx.doi.org/10.1186/s13321-019-0392-1

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