Blood-brain barrier (BBB) is a highly complex physical barrier determining what substances are allowed to enter the brain. Support vector machine (SVM) is a kernel-based machine learning method that is widely used in QSAR study. For a successful SVM ...
Journal of the science of food and agriculture
Sep 1, 2025
BACKGROUND: The present study aimed to measure bioavailability (BA) indicators, including epithelial barrier function, apparent permeability (P) and efflux ratio, of 84 types of phytochemicals using Caco-2 cell and to develop predictive model systems...
Journal of molecular graphics & modelling
Jul 1, 2025
Parallel artificial membrane permeability assay (PAMPA) is widely used in the early phases of drug discovery as it is quite robust and offers high throughput. It serves as a platform for assessing the permeability and absorption of pharmaceutical com...
The journal of physical chemistry letters
Jun 12, 2025
Blood-brain barrier permeability (BBBP) prediction plays a critical role in the drug discovery process, particularly for compounds targeting the central nervous system. While machine learning (ML) has significantly advanced the prediction of BBBP, th...
Journal of chemical information and modeling
May 26, 2025
Blood-brain barrier (BBB) permeability plays a crucial role in determining drug efficacy in the brain, with the brain-to-plasma unbound partition coefficient () recognized as a key parameter of BBB permeability in drug development. However, data are...
The blood brain barrier (BBB) is an endothelial-derived structure which restricts the movement of certain molecules between the general somatic circulatory system to the central nervous system (CNS). While the BBB maintains homeostasis by regulating ...
The ability of a compound to permeate across the blood-brain barrier (BBB) is a significant factor for central nervous system drug development. Thus, for speeding up the drug discovery process, it is crucial to perform high-throughput screenings to p...
MOTIVATION: Evaluating the blood-brain barrier (BBB) permeability of drug molecules is a critical step in brain drug development. Traditional methods for the evaluation require complicated in vitro or in vivo testing. Alternatively, in silico predict...
The trade-off between a machine learning (ML) and deep learning (DL) model's predictability and its interpretability has been a rising concern in central nervous system-related quantitative structure-activity relationship (CNS-QSAR) analysis. Many st...
PURPOSE: This study evaluated hydrogen peroxide (HP) diffusion within the pulp chamber, as well as color change and the surface morphology of teeth subjected to various microabrasion (MA) protocols associated or not with in-office (IO) bleaching.
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