AIMC Topic: Permeability
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Direct Comparison of Total Clearance Prediction: Computational Machine Learning Model versus Bottom-Up Approach Using In Vitro Assay.
Molecular pharmaceutics
Jun 12, 2020
The in vitro-in vivo extrapolation (IVIVE) approach for predicting total plasma clearance (CL) has been widely used to rank order compounds early in discovery. More recently, a computational machine learning approach utilizing physicochemical descrip...
Pharmaceutical Preparations
Dogs
Models, Biological
Madin Darby Canine Kidney Cells
Rats, Sprague-Dawley
Liver
Blood Proteins
Administration, Intravenous
Plasma
Metabolic Clearance Rate
Membranes, Artificial
Microsomes, Liver
Hepatocytes
Permeability
Pharmacokinetics
Humans
Machine Learning
Animals
Male
Protein Binding
Rats
In Silico Prediction of Intestinal Permeability by Hierarchical Support Vector Regression.
International journal of molecular sciences
May 19, 2020
The vast majority of marketed drugs are orally administrated. As such, drug absorption is one of the important drug metabolism and pharmacokinetics parameters that should be assessed in the process of drug discovery and development. A nonlinear quant...
Robotically handled whole-tissue culture system for the screening of oral drug formulations.
Nature biomedical engineering
Apr 27, 2020
Monolayers of cancer-derived cell lines are widely used in the modelling of the gastrointestinal (GI) absorption of drugs and in oral drug development. However, they do not generally predict drug absorption in vivo. Here, we report a robotically hand...
The influence of diffusion cell type and experimental temperature on machine learning models of skin permeability.
The Journal of pharmacy and pharmacology
Nov 14, 2019
OBJECTIVES: The aim of this study was to use Gaussian process regression (GPR) methods to quantify the effect of experimental temperature (T ) and choice of diffusion cell on model quality and performance.
Magnetically Actuated Heterogeneous Microcapsule-Robot for the Construction of 3D Bioartificial Architectures.
ACS applied materials & interfaces
Jul 12, 2019
Core-shell microcapsules as one type of the most attractive carriers and reactors have been widely applied in the fields of drug screening and tissue engineering owing to their excellent biocompatibility and semi-permeability. Yet, the spatial organi...
Ultrasonic exposure parameters screening in permeability of mycobacterium smegmatis cytoderm induced by cavitation based on artificial neural network identification.
Ultrasonics sonochemistry
May 31, 2019
The low intensity ultrasound has been adopted by researchers to enhance the bactericidal effect against bacteria in vitro and in vivo. Although the mechanism is not completely understood, one dominant opinion is that the permeability increases becaus...
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...
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...
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.
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 ...
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