QSAR workbench: automating QSAR modeling to drive compound design

We describe the QSAR Workbench, a system for the building and analysis of QSAR models. The system is built around the Pipeline Pilot workflow tool and provides access to a variety of model building algorithms for both continuous and categorical data. Traditionally models are built on a one by one ba...

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Detalles Bibliográficos
Autores principales: Cox, Richard, Green, Darren V. S., Luscombe, Christopher N., Malcolm, Noj, Pickett, Stephen D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3657086/
https://www.ncbi.nlm.nih.gov/pubmed/23615761
http://dx.doi.org/10.1007/s10822-013-9648-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3657086/
https://www.ncbi.nlm.nih.gov/pubmed/23615761
http://dx.doi.org/10.1007/s10822-013-9648-4

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