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Towards Deep Neural Network Models for the Prediction of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

Permeation through the blood–brain barrier (BBB) is among the most important processes controlling the pharmacokinetic properties of drugs and other bioactive compounds. Using the fragmental (substructural) descriptors representing the occurrence number of various substructures, as well as the artif...

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Detalles Bibliográficos
Autores principales:	Radchenko, Eugene V., Dyabina, Alina S., Palyulin, Vladimir A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7763607/ https://www.ncbi.nlm.nih.gov/pubmed/33322142 http://dx.doi.org/10.3390/molecules25245901

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