Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets

BACKGROUND: Recently, novel 3D alignment-free molecular descriptors (also known as QuBiLS-MIDAS) based on two-linear, three-linear and four-linear algebraic forms have been introduced. These descriptors codify chemical information for relations between two, three and four atoms by using several (dis...

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Detalles Bibliográficos
Publicado en:J Cheminform
Main Authors: García-Jacas, César R., Contreras-Torres, Ernesto, Marrero-Ponce, Yovani, Pupo-Meriño, Mario, Barigye, Stephen J., Cabrera-Leyva, Lisset
Formato: Artigo
Idioma:Inglês
Publicado: Springer International Publishing 2016
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Research Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4768433/
https://ncbi.nlm.nih.gov/pubmed/26925168
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0122-x
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