AIMC Topic: Permeability
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Integrated evaluation and optimization of acid fracturing effectiveness in carbonate reservoirs: Experimental insights and field validation.
PloS one
Jul 16, 2025
The development of carbonate reservoirs is confronted with significant challenges, including pronounced heterogeneity and suboptimal porosity-permeability characteristics. These challenges are particularly acute in low-porosity, low-permeability comp...
Advances in brain-targeted delivery strategies and natural product-mediated enhancement of blood-brain barrier permeability.
Journal of nanobiotechnology
May 26, 2025
The blood-brain barrier (BBB) represents a formidable challenge in the treatment of neurological disorders, as it restricts the passage of most therapeutic agents into the central nervous system (CNS). Research in brain-targeted delivery strategies a...
Intestinal permeability of N-acetylcysteine is driven by gut microbiota-dependent cysteine palmitoylation.
Nature communications
May 19, 2025
Trillions of intestinal microbiota are essential to the permeability of orally administered drugs. However, identifying microbial-drug interactions remains challenging due to the highly variable composition of intestinal flora among individuals. Usin...
Modelling of intrinsic membrane permeability of drug molecules by explainable ML-based q-RASPR approach towards better pharmacokinetics and toxicokinetics properties.
SAR and QSAR in environmental research
Apr 7, 2025
Drug discovery's success lies in potent inhibition against a target and optimum pharmacokinetic and toxicokinetic properties of drug molecules. Membrane permeability is a crucial factor in determining the absorption, distribution, metabolism, and exc...
GCN-BBB: Deep Learning Blood-Brain Barrier (BBB) Permeability PharmacoAnalytics with Graph Convolutional Neural (GCN) Network.
The AAPS journal
Apr 3, 2025
The Blood-Brain Barrier (BBB) is a selective barrier between the Central Nervous System (CNS) and the peripheral system, regulating the distribution of molecules. BBB permeability has been crucial in CNS-targeting drug development, such as glioblasto...
Seeking Correlation Among Porin Permeabilities and Minimum Inhibitory Concentrations Through Machine Learning: A Promising Route to the Essential Molecular Descriptors.
Molecules (Basel, Switzerland)
Mar 9, 2025
Developing effective antibiotics against Gram-negative bacteria remains challenging due to their protective outer membrane. With this study, we investigated the relationship between antibiotic permeation through the OmpF porin of and antimicrobial e...
MultiCycPermea: accurate and interpretable prediction of cyclic peptide permeability using a multimodal image-sequence model.
BMC biology
Feb 27, 2025
BACKGROUND: Cyclic peptides, known for their high binding affinity and low toxicity, show potential as innovative drugs for targeting "undruggable" proteins. However, their therapeutic efficacy is often hindered by poor membrane permeability. Over th...
Uncovering blood-brain barrier permeability: a comparative study of machine learning models using molecular fingerprints, and SHAP explainability.
SAR and QSAR in environmental research
Jan 8, 2025
This study illustrates the use of chemical fingerprints with machine learning for blood-brain barrier (BBB) permeability prediction. Employing the Blood Brain Barrier Database (B3DB) dataset for BBB permeability prediction, we extracted nine differen...
Leveraging machine learning to predict drug permeation: impact of menthol and limonene as enhancers.
Molecular diversity
Dec 16, 2024
The present study aimed to develop robust machine learning (ML) models to predict the skin permeability of poorly water-soluble drugs in the presence of menthol and limonene as penetration enhancers (PEs). The ML models were also applied in virtual s...
FormulationBCS: A Machine Learning Platform Based on Diverse Molecular Representations for Biopharmaceutical Classification System (BCS) Class Prediction.
Molecular pharmaceutics
Dec 8, 2024
The Biopharmaceutics Classification System (BCS) has facilitated biowaivers and played a significant role in enhancing drug regulation and development efficiency. However, the productivity of measuring the key discriminative properties of BCS, solubi...
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