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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...
Gardado en:
| Publicado en: | J Cheminform |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Springer International Publishing
2016
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5123367/ https://ncbi.nlm.nih.gov/pubmed/27942268 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0179-6 |
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