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Blood-Brain Barrier

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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...

Planning Framework for Robot-assisted Blood-Brain Barrier Opening with Focused Ultrasound.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
This article presents a method to plan BloodBrain Barrier (BBB) disruption with Focused Ultrasound, under neuronavigated robotic assistance. Robotic and acoustic constraints are defined to estimate brain target accessibility. The relevance of the pro...

Robotic fluidic coupling and interrogation of multiple vascularized organ chips.

Nature biomedical engineering
Organ chips can recapitulate organ-level (patho)physiology, yet pharmacokinetic and pharmacodynamic analyses require multi-organ systems linked by vascular perfusion. Here, we describe an 'interrogator' that employs liquid-handling robotics, custom s...

Identification of Key Features of CNS Drugs Based on SVM and Greedy Algorithm.

Current computer-aided drug design
INTRODUCTION: The research and development of drugs, related to the central nervous system (CNS) diseases is a long and arduous process with high cost, long cycle and low success rate. Identification of key features based on available CNS drugs is of...

Finding Needles in a Haystack: Determining Key Molecular Descriptors Associated with the Blood-brain Barrier Entry of Chemical Compounds Using Machine Learning.

Molecular informatics
In this paper we used two sets of calculated molecular descriptors to predict blood-brain barrier (BBB) entry of a collection of 415 chemicals. The set of 579 descriptors were calculated by Schrodinger and TopoCluj software. Polly and Triplet softwar...

Improved Classification of Blood-Brain-Barrier Drugs Using Deep Learning.

Scientific reports
Blood-Brain-Barrier (BBB) is a strict permeability barrier for maintaining the Central Nervous System (CNS) homeostasis. One of the most important conditions to judge a CNS drug is to figure out whether it has BBB permeability or not. In the past 20 ...

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...

In Silico Prediction of Blood-Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods.

ChemMedChem
The blood-brain barrier (BBB) as a part of absorption protects the central nervous system by separating the brain tissue from the bloodstream. In recent years, BBB permeability has become a critical issue in chemical ADMET prediction, but almost all ...

Improved Prediction of Blood-Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints.

The AAPS journal
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
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...