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Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles

Predictive modelling in drug discovery is challenging to automate as it often contains multiple analysis steps and might involve cross-validation and parameter tuning that create complex dependencies between tasks. With large-scale data or when using computationally demanding modelling methods, e-in...

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Detalles Bibliográficos
Autores principales: Lampa, Samuel, Alvarsson, Jonathan, Spjuth, Ola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5123367/
https://www.ncbi.nlm.nih.gov/pubmed/27942268
http://dx.doi.org/10.1186/s13321-016-0179-6