AIMC Topic: Blood-Brain Barrier
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Improved Prediction of Blood-Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints.
The AAPS journal
Mar 21, 2018
Blood-brain barrier (BBB) permeability of a compound determines whether the compound can effectively enter the brain. It is an essential property which must be accounted for in drug discovery with a target in the brain. Several computational methods ...
Ensemble of expert deep neural networks for spatio-temporal denoising of contrast-enhanced MRI sequences.
Medical image analysis
Aug 2, 2017
Dynamic contrast-enhanced MRI (DCE-MRI) is an imaging protocol where MRI scans are acquired repetitively throughout the injection of a contrast agent. The analysis of dynamic scans is widely used for the detection and quantification of blood-brain ba...
Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery.
Scientific reports
May 25, 2017
Quantitative structure-activity relationship modeling using machine learning techniques constitutes a complex computational problem, where the identification of the most informative molecular descriptors for predicting a specific target property play...
Prediction of blood-brain barrier permeability of organic compounds.
Doklady. Biochemistry and biophysics
Nov 6, 2016
Using fragmental descriptors and artificial neural networks, a predictive model of the relationship between the structure of organic compounds and their blood-brain barrier permeability was constructed and the structural factors affecting the readine...
Cognitively impaired elderly exhibit insulin resistance and no memory improvement with infused insulin.
Neurobiology of aging
Dec 1, 2015
Insulin resistance is a risk factor for Alzheimer's disease (AD), although its role in AD etiology is unclear. We assessed insulin resistance using fasting and insulin-stimulated measures in 51 elderly subjects with no dementia (ND; n = 37) and with ...
A method to predict different mechanisms for blood-brain barrier permeability of CNS activity compounds in Chinese herbs using support vector machine.
Journal of bioinformatics and computational biology
Oct 27, 2015
The blood-brain barrier (BBB), a highly selective barrier between central nervous system (CNS) and the blood stream, restricts and regulates the penetration of compounds from the blood into the brain. Drugs that affect the CNS interact with the BBB p...
Medicine, Chinese Traditional
ATP Binding Cassette Transporter, Subfamily B, Member 1
Drug Evaluation, Preclinical
Central Nervous System Agents
Permeability
Plants, Medicinal
Blood-Brain Barrier
Models, Theoretical
Support Vector Machine
Humans
Algorithms
Reproducibility of Results
Molecular Targeted Therapy
A Genetic Algorithm Based Support Vector Machine Model for Blood-Brain Barrier Penetration Prediction.
BioMed research international
Oct 4, 2015
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 ...
Multi-Target Drug Design in Alzheimer's Disease Treatment: Emerging Technologies, Advantages, Challenges, and Limitations.
Pharmacology research & perspectives
Aug 1, 2025
Alzheimer's disease (AD) is a complex and multifactorial neurodegenerative disorder, recognized as the most prevalent form of dementia. It is characterized by multiple pathological processes, including amyloid-beta accumulation, neurofibrillary tangl...
Transcranial adaptive aberration correction using deep learning for phased-array ultrasound therapy.
Ultrasonics
Aug 1, 2025
This study aims to explore the feasibility of a deep learning approach to correct the distortion caused by the skull, thereby developing a transcranial adaptive focusing method for safe ultrasonic treatment in opening of the blood-brain barrier (BBB)...
Interpretable Multimodal Deep Ensemble Framework Dissecting Bloodbrain Barrier Permeability with Molecular Features.
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...
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