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QSAR Development for Plasma Protein Binding: Influence of the Ionization State

PURPOSE: This study explored several strategies to improve the performance of literature QSAR models for plasma protein binding (PPB), such as a suitable endpoint transformation, a correct representation of chemicals, more consistency in the dataset, and a reliable definition of the applicability do...

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Detalles Bibliográficos
Autores principales: Toma, Cosimo, Gadaleta, Domenico, Roncaglioni, Alessandra, Toropov, Andrey, Toropova, Alla, Marzo, Marco, Benfenati, Emilio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6308215/
https://www.ncbi.nlm.nih.gov/pubmed/30591975
http://dx.doi.org/10.1007/s11095-018-2561-8