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AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment

BACKGROUND: Machine learning has a vast range of applications. In particular, advanced machine learning methods are routinely and increasingly used in quantitative structure activity relationship (QSAR) modeling. QSAR data sets often encompass tens of thousands of compounds and the size of proprieta...

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Detalles Bibliográficos
Autores principales: Stålring, Jonna C, Carlsson, Lars A, Almeida, Pedro, Boyer, Scott
Formato: Artigo
Lenguaje:Inglês
Publicado: BioMed Central 2011
Materias:
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC3158423/
https://ncbi.nlm.nih.gov/pubmed/21798025
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-3-28
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