Towards better BBB passage prediction using an extensive and curated data set

In the present report, the challenging task of drug delivery across the blood-brain barrier (BBB) is addressed via a computational approach. The BBB passage was modeled using classification and regression schemes on a novel extensive and curated data set (the largest to the best of our knowledge) in...

Full description

Autores:
Tipo de recurso:
Fecha de publicación:
2015
Institución:
Universidad Tecnológica de Bolívar
Repositorio:
Repositorio Institucional UTB
Idioma:
eng
OAI Identifier:
oai:repositorio.utb.edu.co:20.500.12585/9016
Acceso en línea:
https://hdl.handle.net/20.500.12585/9016
Palabra clave:
BBB endpoint
Blood£brain barrier
Dragon descriptor
Linear discriminant analysis
Multiple linear regression
P-glycoprotein
Quantitative structure pharmacokinetic (property) relationship
Central nervous system agents
Multidrug resistance protein
Octanol
Water
Article
Blood-Brain Barrier
Brain disease
Central nervous system
Chemical structure
Cluster analysis
Computer program
Data analysis
Discriminant analysis
Drug penetration
Drug research
Drug targeting
Drug transport
Genetic algorithm
High throughput screening
Human
Linear discriminant analysis
Machine learning
Molecular weight
Molecule
Multiple linear regression analysis
Partition coefficient
Prediction
Priority journal
Quantitative structure activity relation
Quantitative structure pharmacokinetic relation
Statistical analysis
Statistical model
Statistical parameters
Animal
Biological model
Blood-Brain Barrier
Computer simulation
Physiology
Animals
Blood-Brain Barrier
Computer simulation
Humans
Models, Cardiovascular
Models, Neurological
Rights
restrictedAccess
License
http://creativecommons.org/licenses/by-nc-nd/4.0/