AI Medical Compendium

Deciphering the phonon scattering mechanism and lattice thermal conductivity of La2Zr2O7 pyrochlores through point defect engineering: insights from molecular dynamics simulations with machine learning potentials.

Physical chemistry chemical physics : PCCP Jul 18, 2026

The moment tensor potentials (MTPs) are trained, tested and validated for various single- and mixed-type point defects in La2Zr2O7 pyrochlores using the training datasets produced from first-principles molecular dynamics simulations. The reliability ... read more

Artificial intelligence for diagnosis of keratoconus using Scheimpflug based corneal tomography.

International journal of ophthalmology Jul 18, 2026

AIM: To develop and evaluate the diagnostic accuracy of deep learning (DL) models in differentiating keratoconus (KC) from normal eyes with regular astigmatism. METHODS: A comparative cross-sectional study was conducted at the Cornea and Diagnostic D... read more

Oculomics: advances and perspectives from traditional Chinese medicine to modern multimodal biomarkers.

International journal of ophthalmology Jul 18, 2026

Oculomics, the study of the relationship between ophthalmic biomarkers (changes or abnormalities in the eye) and systemic health or disease states, posits that the eye can serve as a window into the overall health of the body. This concept aligns clo... read more

Direct detection of alternative DNA conformations with long-read sequencing and machine learning approaches

bioRxiv Jul 18, 2026

Progress has been made in identifying G-quadruplexes (G4s) and other non-canonical (non-B) DNA structures in live cells. However, these experiments have been limited by methodological constraints, including low resolution and specificity, and GC-sequ... read more

bioinformatics

Predictive Modeling of Coronary Artery Disease Using Color Fundus Photography-Based Features of Retinal Vasculature.

Ophthalmology and therapy Jul 18, 2026

INTRODUCTION: Coronary artery disease (CAD) remains the leading cause of death and current screening methods are limited. Color fundus photography (CFP) has been explored in literature mostly on the basis of associations and exploratory deep learning... read more

Age-Related Brain Atrophy Mediates a Composite Outcome of One-Year Ischemic Stroke Recurrence and All-Cause Mortality Through YKL-40-Related Inflammatory Pathways: A Structural Equation Model.

Translational stroke research Jul 18, 2026

Chronological age is a strong predictor of poor outcomes after ischemic stroke but may not fully capture underlying biological vulnerability. This study investigated whether age-related brain atrophy and plasma YKL-40, a marker of astroglial inflamma... read more

Investigating the mechanisms of malignant progression in colorectal cancer using weighted gene co-expression network analysis and machine learning.

Journal of molecular histology Jul 18, 2026

Colorectal cancer (CRC) remains a leading cause of cancer-related mortality worldwide. Understanding the complex molecular networks that underlie this aggressive behavior is critical for developing novel diagnostic and therapeutic strategies. This st... read more

Random Forest Modeling to Predict Small Molecule Accumulation in Gram-Negative Bacteria.

ACS infectious diseases Jul 18, 2026

Despite extensive efforts over the past ∼60 years to discover new classes of Gram-negative-active antibiotics, the development pipeline remains relatively dry. These failures can be largely ascribed to the complexity of the Gram-negative membranes an... read more

Interpretable Machine Learning Framework for Gas Adsorption Prediction and Screening on Transition Metal Dichalcogenides.

Langmuir : the ACS journal of surfaces and colloids Jul 18, 2026

Two-dimensional transition metal dichalcogenides (TMDs) are promising gas-sensing materials, but adsorption behavior across doped host-dopant-gas spaces remains difficult to predict and interpret. Here, we develop a descriptor-informed machine-learni... read more

Mapping Non-Homologous Pocket Compatibilities to Identify Hidden Drug-Target Relationships: A Pocket Hopping Framework.

Journal of medicinal chemistry Jul 18, 2026

Predicting small molecule-protein interactions across nonhomologous proteins remains challenging because shared ligand recognition is often not evident from sequence, fold, or pocket similarity. Here, we introduce pocket hopping, a machine-learning f... read more

Artificial Intelligence Medical Compendium