AIMC Topic: Permeability

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Improving measurement of blood-brain barrier permeability with reduced scan time using deep-learning-derived capillary input function.

NeuroImage
PURPOSE: In Dynamic contrast-enhanced MRI (DCE-MRI), Arterial Input Function (AIF) has been shown to be a significant contributor to uncertainty in the estimation of kinetic parameters. This study is to assess the feasibility of using a deep learning...

High-Fidelity Permeability and Porosity Prediction Using Deep Learning With the Self-Attention Mechanism.

IEEE transactions on neural networks and learning systems
Accurate estimation of reservoir parameters (e.g., permeability and porosity) helps to understand the movement of underground fluids. However, reservoir parameters are usually expensive and time-consuming to obtain through petrophysical experiments o...

Stacked ensemble machine learning for porosity and absolute permeability prediction of carbonate rock plugs.

Scientific reports
This study employs a stacked ensemble machine learning approach to predict carbonate rocks' porosity and absolute permeability with various pore-throat distributions and heterogeneity. Our dataset consists of 2D slices from 3D micro-CT images of four...

Machine learning based dynamic consensus model for predicting blood-brain barrier permeability.

Computers in biology and medicine
The blood-brain barrier (BBB) is an important defence mechanism that restricts disease-causing pathogens and toxins to enter the brain from the bloodstream. In recent years, many in silico methods were proposed for predicting BBB permeability, howeve...

Machine learning-based models for predicting gas breakthrough pressure of porous media with low/ultra-low permeability.

Environmental science and pollution research international
Gas breakthrough pressure is a significant parameter for the gas exploration and safety evaluation of engineering barrier systems in the carbon dioxide storage, remediation of contaminated sites, and deep geological repository for disposal of high-le...

Perspective on a chemistry classification system for AI-assisted formulation development.

Journal of controlled release : official journal of the Controlled Release Society
This perspective article draws a distinction between some of the well-known drug classification systems and a "Chemistry Classification System" (CCS). Rather than have drug classification based on some simple properties like solubility and permeabili...

Trivariate Linear Regression and Machine Learning Prediction of Possible Roles of Efflux Transporters in Estimated Intestinal Permeability Values of 301 Disparate Chemicals.

Biological & pharmaceutical bulletin
A system for predicting apparent bidirectional permeability (P) across Caco-2 cells of diverse chemicals has been reported. The present study aimed to investigate the relationship between in silico-generated P (from apical to basal side, P) for 301 s...

DeepBBBP: High Accuracy Blood-brain-barrier Permeability Prediction with a Mixed Deep Learning Model.

Molecular informatics
Blood-brain-barrier permeability (BBBP) is an important property that is used to establish the drug-likeness of a molecule, as it establishes whether the molecule can cross the BBB when desired. It also eliminates those molecules which are not suppos...

Revolutionizing Membrane Design Using Machine Learning-Bayesian Optimization.

Environmental science & technology
Polymeric membrane design is a multidimensional process involving selection of membrane materials and optimization of fabrication conditions from an infinite candidate space. It is impossible to explore the entire space by trial-and-error experimenta...

Prediction of the Blood-Brain Barrier (BBB) Permeability of Chemicals Based on Machine-Learning and Ensemble Methods.

Chemical research in toxicology
The ability of chemicals to enter the blood-brain barrier (BBB) is a key factor for central nervous system (CNS) drug development. Although many models for BBB permeability prediction have been developed, they have insufficient accuracy (ACC) and sen...