AI Medical Compendium

Induced Dipole Calculation with E(3)-Equivariant Neural Networks and Multipole Field Perturbation.

Journal of chemical theory and computation Mar 19, 2026

Polarizable force fields based on induced dipoles are widely implemented in molecular dynamics simulations of biological systems to explicitly capture electric induction effects. The iterative computation of induced dipoles suffers from convergence i... read more

A Biologically Informed Machine Learning Pipeline Uncovers Metabolic Features of Intestinal Barrier Dysfunction.

Analytical chemistry Mar 19, 2026

Intestinal barrier dysfunction is a pivotal factor in diverse pathologies, yet clear diagnostic criteria remain elusive, and biomarker discovery is often hindered by the high costs of large-scale clinical cohorts. Here, we developed a biologically in... read more

Correction to "Interpretable Machine Learning Uncovers the Dominance of Oxygen Partial Pressure and Crystallinity in Mo-Doped In2O3 Thin Film Growth".

Langmuir : the ACS journal of surfaces and colloids Mar 19, 2026

DeepIM: Integrating Channel-Spatial Attention with Transformer for DNA i-Motif Folding Status Prediction.

Journal of chemical information and modeling Mar 19, 2026

i-Motif (iM), a quadruplex structure formed by C-rich DNA sequences under acidic conditions, is significant for gene expression regulation, telomere stability, and cancer development. Traditional experimental methods for detecting iMs, such as circul... read more

Evaluating real-time voice AI-based virtual patients for authentic communication training.

Medical teacher Mar 19, 2026

BACKGROUND: Effective communication is essential in clinical training, yet opportunities for realistic and interactionally authentic practice remain limited. Standardized patients (SPs) provide realism but are resource-intensive, whereas virtual pati... read more

Deep learning-empowered SERS: deciphering the multidimensional information code of complex biological samples.

Analytical methods : advancing methods and applications Mar 19, 2026

Surface-enhanced Raman spectroscopy (SERS), an analytical technique characterized by fingerprint-like identification capabilities and high sensitivity, has demonstrated significant application value across diverse fields such as biomedicine, environm... read more

PNcsp+: A Periodic Number-Based Crystal Structure Prediction Method Enhanced by Machine Learning.

Journal of chemical theory and computation Mar 19, 2026

Crystal structure prediction (CSP) is central to materials discovery, yet its efficiency and interpretability remain limited by the vast configurational space and reliance on costly local optimizations. Although template-based and machine-learning (M... read more

Microwave Cytometry with Machine Learning for Shape-Resolved Microplastic Detection.

ACS sensors Mar 19, 2026

Microplastics are increasingly recognized as a global environmental health threat, yet their detection and characterization remain constrained by the cost, form factor, and throughput of existing analytical tools. Portable micro/nanotechnology-based ... read more

Accurate Prediction of Polymerization Performance for Metallocene Catalysts via a Dual-Path Neural Network and Local Feature Learning.

Journal of chemical information and modeling Mar 19, 2026

Metallocene catalysts, distinguished by their well-defined active centers and tunable coordination geometries, are pivotal in the homopolymerization of propylene to produce polypropylene with tailored properties. However, the rational design of such ... read more

Foundations to frontiers: Charting the evolution of healthcare operations management and the patient journey.

Health services management research Mar 19, 2026

PurposeThis study provides a systematic analysis of key literature in healthcare Operations Management (OM), examining its evolution from manufacturing-based approaches to modern healthcare applications. It addresses two main questions: the insights ... read more

Artificial Intelligence Medical Compendium