AIMC Topic: Permeability
Clear Filters Showing 51 to 60 of 71 articles
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 ...
Machine learning based compartment models with permeability for white matter microstructure imaging.
NeuroImage
Feb 8, 2017
Some microstructure parameters, such as permeability, remain elusive because mathematical models that express their relationship to the MR signal accurately are intractable. Here, we propose to use computational models learned from simulations to est...
An LC-MS/MS method for the determination of digitoxigenin in skin samples and its application to skin permeation and metabolic stability studies.
Journal of pharmaceutical and biomedical analysis
Dec 23, 2016
An LC-MS/MS method was developed for the determination of digitoxigenin in mice skin samples. Chromatographic separation was achieved on an Agilent Poroshell 120 EC-C18 column. Mass spectrometric detection was achieved by a triple-quadrupole mass spe...
Physicochemical property profile for brain permeability: comparative study by different approaches.
Journal of drug targeting
Feb 6, 2016
A comparative study of classification models of brain penetration by different approaches was carried out on a training set of 1000 chemicals and drugs, and an external test set of 100 drugs. Ten approaches were applied in this work: seven medicinal ...
Heat shock protein A12B protects against sepsis-induced impairment in vascular endothelial permeability.
The Journal of surgical research
Dec 30, 2015
BACKGROUND: As a common and life-threatening infectious syndrome, sepsis contributes significantly to morbidity and mortality in clinical settings. Vascular endothelial injury and hyperpermeability play an important role in the development of sepsis-...
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...
Plants, Medicinal
Molecular Targeted Therapy
Models, Theoretical
Support Vector Machine
Medicine, Chinese Traditional
Central Nervous System Agents
Permeability
ATP Binding Cassette Transporter, Subfamily B, Member 1
Drug Evaluation, Preclinical
Humans
Algorithms
Reproducibility of Results
Blood-Brain Barrier
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 ...
Interpretable machine learning and graph attention network based model for predicting PAMPA permeability.
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...
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...
Predicting the Brain-To-Plasma Unbound Partition Coefficient of Compounds via Formula-Guided Network.
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...
Stay Ahead of Medical AI
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.
Subscribe NowPopular Topics
- Machine Learning 31964
- Neural Networks, Computer 30201
- Algorithms 27375
- Deep Learning 26880
- Artificial Intelligence 24817
- Robotics 13382
- Image Processing, Computer-Assisted 9730
- Retrospective Studies 9328
- Magnetic Resonance Imaging 6341
- Reproducibility of Results 5670
- Tomography, X-Ray Computed 4863
- Support Vector Machine 4762
- Computational Biology 4328
- Brain 4125
- Computer Simulation 3932
Recent Journals
- Scientific reports 6689
- Sensors (Basel, Switzerland) 4794
- PloS one 4186
- Neural networks : the official journal of the International Neural Network Society 3026
- Computational intelligence and neuroscience 1931
- Computers in biology and medicine 1915
- Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference 1686
- Studies in health technology and informatics 1378
- IEEE journal of biomedical and health informatics 1167
- Journal of chemical information and modeling 1059
- Nature communications 1029
- Computer methods and programs in biomedicine 883
- Bioinformatics (Oxford, England) 872
- Journal of medical Internet research 853
- Briefings in bioinformatics 853