AIMC Topic: Permeability

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Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets.

Journal of chemical information and modeling Jan 24, 2019
Successful drug discovery projects require control and optimization of compound properties related to pharmacokinetics, pharmacodynamics, and safety. While volume and chemotype coverage of public and corporate ADME-Tox (absorption, distribution, excr...
Humans Neural Networks, Computer Drug Design Models, Biological Permeability Quantitative Structure-Activity Relationship Databases, Pharmaceutical Models, Statistical Caco-2 Cells Models, Molecular Pharmaceutical Preparations
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Effect of the in vitro gastrointestinal digestion on free-phenolic compounds and mono/oligosaccharides from Moringa oleifera leaves: Bioaccessibility, intestinal permeability and antioxidant capacity.

Food research international (Ottawa, Ont.) Nov 10, 2018
Moringa oleifera is a plant recognized for its compounds such as dietary fiber (oligosaccharides, amongst others) and polyphenols, with biological activities. These properties depend on bioactive compounds (BC) interactions with food matrix/digestion...
Plant Leaves In Vitro Techniques Humans Moringa oleifera Gastrointestinal Tract Phenols Antioxidants Oligosaccharides Rats, Wistar Animals Intestinal Mucosa Models, Animal Permeability Rats Male Saliva Monosaccharides
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Skin surface lipid differences in sensitive skin caused by psychological stress and distinguished by support vector machine.

Journal of cosmetic dermatology Oct 2, 2018
BACKGROUND: Sensitive skin refers to skin that tends to be highly responsive to stimuli such as physical, chemical, and psychological. Psychological factors play an important role in the pathology of sensitive skin.
Hyperesthesia Humans Skin Chromatography, High Pressure Liquid Female Tandem Mass Spectrometry Young Adult Permeability Adult Stress, Psychological Support Vector Machine Lipids Discriminant Analysis
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In Silico Prediction of Blood-Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods.

ChemMedChem Sep 21, 2018
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 ...
Algorithms Support Vector Machine Computer Simulation Models, Chemical Permeability Blood-Brain Barrier Databases, Chemical Organic Chemicals
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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 ...
Support Vector Machine Models, Biological Permeability Humans Machine Learning Blood-Brain Barrier Drug Discovery
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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...
Image Interpretation, Computer-Assisted Monte Carlo Method White Matter Echo-Planar Imaging Middle Aged Models, Theoretical Permeability Multiple Sclerosis Humans Machine Learning Brain Computer Simulation Female Young Adult Adult Male
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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...
Sensitivity and Specificity Animals Swine Permeability Mice Reproducibility of Results Mice, Inbred C57BL Drug Stability Chromatography, Liquid Calibration Skin Digitoxigenin Tandem Mass Spectrometry
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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 ...
Structure-Activity Relationship Computer Simulation Pharmaceutical Preparations Drug Discovery Central Nervous System Agents Permeability Models, Theoretical Machine Learning Brain
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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-...
Escherichia coli Lipopolysaccharides Mice, Inbred C57BL Blotting, Western Human Umbilical Vein Endothelial Cells Permeability Up-Regulation Endothelium, Vascular Male Sepsis Real-Time Polymerase Chain Reaction Mice Humans Biomarkers Animals HSP70 Heat-Shock Proteins
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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...
ATP Binding Cassette Transporter, Subfamily B, Member 1 Drug Evaluation, Preclinical Central Nervous System Agents Permeability Blood-Brain Barrier Models, Theoretical Plants, Medicinal Support Vector Machine Molecular Targeted Therapy Medicine, Chinese Traditional Humans Algorithms Reproducibility of Results
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