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Interpretable correlation descriptors for quantitative structure-activity relationships

BACKGROUND: The topological maximum cross correlation (TMACC) descriptors are alignment-independent 2D descriptors for the derivation of QSARs. TMACC descriptors are generated using atomic properties determined by molecular topology. Previous validation (J Chem Inf Model 2007, 47: 626-634) of the TM...

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Detalles Bibliográficos
Autores principales:	Spowage, Benson M, Bruce, Craig L, Hirst, Jonathan D
Formato:	Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2009
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2820500/ https://www.ncbi.nlm.nih.gov/pubmed/20151000 http://dx.doi.org/10.1186/1758-2946-1-22

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