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Permeability

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Blood Brain Barrier Permeability Prediction Using Machine Learning Techniques: An Update.

Current pharmaceutical biotechnology
Blood Brain Barrier (BBB) is the collection of vessels of blood with special properties of permeability that allow a limited range of drug and compounds to pass through it. The BBB plays a vital role in maintaining balance between intracellular and e...

Ultrasonic exposure parameters screening in permeability of mycobacterium smegmatis cytoderm induced by cavitation based on artificial neural network identification.

Ultrasonics sonochemistry
The low intensity ultrasound has been adopted by researchers to enhance the bactericidal effect against bacteria in vitro and in vivo. Although the mechanism is not completely understood, one dominant opinion is that the permeability increases becaus...

Magnetically Actuated Heterogeneous Microcapsule-Robot for the Construction of 3D Bioartificial Architectures.

ACS applied materials & interfaces
Core-shell microcapsules as one type of the most attractive carriers and reactors have been widely applied in the fields of drug screening and tissue engineering owing to their excellent biocompatibility and semi-permeability. Yet, the spatial organi...

The influence of diffusion cell type and experimental temperature on machine learning models of skin permeability.

The Journal of pharmacy and pharmacology
OBJECTIVES: The aim of this study was to use Gaussian process regression (GPR) methods to quantify the effect of experimental temperature (T ) and choice of diffusion cell on model quality and performance.

Robotically handled whole-tissue culture system for the screening of oral drug formulations.

Nature biomedical engineering
Monolayers of cancer-derived cell lines are widely used in the modelling of the gastrointestinal (GI) absorption of drugs and in oral drug development. However, they do not generally predict drug absorption in vivo. Here, we report a robotically hand...

In Silico Prediction of Intestinal Permeability by Hierarchical Support Vector Regression.

International journal of molecular sciences
The vast majority of marketed drugs are orally administrated. As such, drug absorption is one of the important drug metabolism and pharmacokinetics parameters that should be assessed in the process of drug discovery and development. A nonlinear quant...

A Recurrent Neural Network model to predict blood-brain barrier permeability.

Computational biology and chemistry
The rapid development of computational methods and the increasing volume of chemical and biological data have contributed to an immense growth in chemical research. This field of study is known as "chemoinformatics," which is a discipline that uses m...

LightBBB: computational prediction model of blood-brain-barrier penetration based on LightGBM.

Bioinformatics (Oxford, England)
MOTIVATION: Identification of blood-brain barrier (BBB) permeability of a compound is a major challenge in neurotherapeutic drug discovery. Conventional approaches for BBB permeability measurement are expensive, time-consuming and labor-intensive. BB...