AI Medical Compendium

Interpretable ML-DFT Framework for Performance Prediction and Structure-Activity Relationship Analysis of Acidic Copper Plating Levelers.

Journal of chemical information and modeling Mar 14, 2026

High-performance levelers are crucial for microelectronic copper electroplating; yet, their development is hindered by costly experimental screening and unclear structure-activity relationships (SAR). This study proposes an integrated machine learnin... read more

ncProFormer: A CNN-enhanced Transformer for ncRNA Coding-Potential Prediction.

Journal of chemical information and modeling Mar 14, 2026

Recent studies have revealed that some noncoding RNAs (ncRNAs) bear translational potential, and their encoded micropeptides have essential functions in multiple biological processes. However, accurate identification of coding-capable ncRNAs remains ... read more

Simulation of the Metabolic Response to an Interventional Study with New Healthy Beverages by Machine-Learning Regression.

Journal of agricultural and food chemistry Mar 14, 2026

The present study proposes a methodology to emulate an interventional trial by employing machine-learning (ML) models. A maqui-citrus beverage is used as a case study, exploiting empirical data to assess the performance of multiple ML algorithms, to ... read more

Engineering Antimicrobial Peptides via Motif Assembly for Combating Multidrug-Resistant Pathogens.

Journal of medicinal chemistry Mar 14, 2026

Hybridization of common motifs from known antimicrobial peptides (AMPs) is a promising strategy for designing a new class of antimicrobial agents with improved activity. Herein, the machine learning-generated peptide sequence IIKLLGVLAKFVLGQ-NH2 was ... read more

Free Energy Calculation Method Based on Enhanced Sampling of Diverse Protein Conformations Predicted by Artificial Intelligence.

The journal of physical chemistry letters Mar 14, 2026

Recent advances in artificial intelligence (AI) have enabled the rapid and accurate prediction of diverse protein structures. The predicted conformations are specified as the initial structures for molecular dynamics simulations in their conformation... read more

Integrative Approaches in Lung Cancer Diagnosis: Bridging Molecular Biomarkers and AI Driven Imaging.

Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals Mar 14, 2026

Though critical, traditional diagnostic approaches such as X-ray, CT scans, bronchoscopy and tissue biopsy don't reliably detect lung cancer at early stages, paradigm shift has occurred recently with lung cancer diagnostics based on recent advances o... read more

Exploring approaches to computational representation and classification of user-generated meal logs.

Journal of the American Medical Informatics Association : JAMIA Mar 14, 2026

OBJECTIVE: This study examined the use of machine learning (ML) and domain-specific enrichment in patient-generated health data, in the form of free-text meal logs, to classify meals on alignment with different nutritional goals. MATERIALS AND METHOD... read more

Decoding soil properties from surface cracks using Minkowski functionals, junction crack angle distributions, and AI-based image analysis.

The European physical journal. E, Soft matter Mar 14, 2026

Desiccation cracks depend on the type of soil, with each type exhibiting a distinct pattern. In this study, we examined the evolution of the crack patterns in different soil types as well as with changes within the same soil type. Physico-chemical st... read more

Super-resolution deep learning reconstruction enhances visualization of cerebral aneurysms on magnetic resonance angiography.

Neuroradiology Mar 14, 2026

Comparison of proprietary and fine-tuned large language models for multi-label classification of billing codes from radiology reports.

European radiology Mar 14, 2026

OBJECTIVES: While large language models (LLMs) have shown promise in medical text analysis, their application in automated medical billing code extraction remains underexplored, particularly for the German medical fee schedule system (GOÄ). Therefore... read more

Artificial Intelligence Medical Compendium