AI Medical Compendium

Reproducibility, validation, and failure modes across classical and AI-driven molecular docking.

Journal of computer-aided molecular design Jun 1, 2026

Molecular docking is indispensable across computer‑aided discovery. However, its conclusions often hinge more on modeling choices than on software brand or nominal score. In this review, we argue that docking should be treated explicitly as condition... read more

Dictionary Learning Methods for Brain Activity Mapping with MEG Data.

Brain topography Jun 1, 2026

A central goal in many brain studies is the identification of those brain regions that are activated during an observation window that may correspond to a motor task, a stimulus, or simply a resting state. While functional MRI is currently the most c... read more

Heterojunction Engineering of Electrodes and Membranes in Redox Flow Batteries.

Chemical record (New York, N.Y.) Jun 1, 2026

Redox flow batteries (RFBs) have demonstrated considerable potential for application prospects in the domain of large-scale energy storage. This potential can be attributed to their notable advantages, which include the decoupling of power and capaci... read more

Predicting Metastatic Potential from Histopathological Whole Slide Images of Primary Tumors in Head and Neck Squamous Cell Carcinoma Using Attention-Based Deep Learning and Signaling Pathway Alterations.

Head and neck pathology Jun 1, 2026

BACKGROUND: Head and Neck Squamous Cell Carcinoma (HNSCC) ranks as the 6th most prevalent cancer worldwide, imposing a significant burden on global healthcare systems. The progression to metastasis poses a substantial challenge in the clinical manage... read more

Exploring the potential targets and mechanisms of artemisinin in the treatment of diabetic kidney disease using network pharmacology and molecular docking.

Functional & integrative genomics Jun 1, 2026

Diabetic kidney disease (DKD) is a secondary glomerular disease caused by diabetes, and its incidence is increasing annually. Artemisinin is an organic compound with multiple pharmacological effects. This study aims to investigate the potential thera... read more

High Polarity Doping of CoFe Layered Hydroxides: Bifunctional and Corrosion-Resistant Anion Exchange Membrane Seawater Electrolyzers.

Nano-micro letters Jun 1, 2026

Green hydrogen production through seawater electrolysis is a promising strategy, although challenges such as sluggish oxygen evolution reaction (OER) kinetics and chlorine (Cl-) corrosion hinder its practical applicability. A novel fluorine (F)-doped... read more

Integrative multi-omics analysis identifies a circadian rhythm-associated gene signature for prognosis and therapeutic stratification in lung adenocarcinoma.

Discover oncology Jun 1, 2026

BACKGROUND/OBJECTIVES: Circadian rhythm disruption is increasingly implicated in tumor progression and therapy resistance. However, its prognostic value and impact on the tumor immune microenvironment in lung adenocarcinoma (LUAD) remain unclear. Thi... read more

Nanostructured electrode materials and flexible-substrate engineering for wearable multi-analyte biosensors in diabetes monitoring and personalized care: a comprehensive review.

Journal of materials science. Materials in medicine Jun 1, 2026

This review examines the convergence of wearable biosensors and artificial intelligence (AI) in personalized diabetes care. It addresses the limitations of traditional glucose monitoring and underscores the need for continuous, multi-analyte physiolo... read more

The (r)evolution of chemical space and molecular modeling: a time-resolved perspective.

Journal of computer-aided molecular design Jun 1, 2026

The number and types of chemical compounds are expanding at an unprecedented rate. To model existing chemicals and aid in the design of novel chemical structures, appropriate computational approaches, tailored to the goals of specific projects, have ... read more

Interpretable machine learning model for predicting operative difficulty in robotic total mesorectal excision for mid-low rectal cancer.

Journal of robotic surgery Jun 1, 2026

Precise preoperative prediction of surgical complexity in robot-assisted total mesorectal excision (R-TME) is essential for optimizing surgical strategies. The current study aimed to construct an interpretable machine learning (ML) model to anticipat... read more

Artificial Intelligence Medical Compendium