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Complementary PLS and KNN algorithms for improved 3D-QSDAR consensus modeling of AhR binding

Multiple validation techniques (Y-scrambling, complete training/test set randomization, determination of the dependence of R(2)(test) on the number of randomization cycles, etc.) aimed to improve the reliability of the modeling process were utilized and their effect on the statistical parameters of...

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Detalles Bibliográficos
Autores principales: Slavov, Svetoslav H, Pearce, Bruce A, Buzatu, Dan A, Wilkes, Jon G, Beger, Richard D
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3843526/
https://www.ncbi.nlm.nih.gov/pubmed/24257141
http://dx.doi.org/10.1186/1758-2946-5-47