AI Medical Compendium

Deep Learning of Protein Structure and Physicochemical Properties from Two-Dimensional Infrared Spectra.

The journal of physical chemistry letters May 28, 2026

Protein structure and physicochemical properties are central to stability, interactions, and biological function, yet their direct determination remains challenging, particularly for dynamic and heterogeneous conformational ensembles. Two-dimensional... read more

PLATE-VS: a web server for protein-ligand assay curation and cross-target virtual screening datasets.

Nucleic acids research May 28, 2026

PLATE-VS (Protein-Ligand Affinity-based Target Evaluation-Virtual Screening, https://www.drugbench.org/) is a free, openly accessible web server that integrates protein structural information, ligand activity data, and property-matched decoys to prod... read more

Machine learning assisted stability and CO2 reduction reaction activity prediction of single atom alloys.

Nanoscale May 28, 2026

Single-atom alloy catalyst design requires a synergistic understanding of stability and activity. Herein, density functional theory (DFT) and machine learning (ML) were integrated to investigate the stability and CO2 reduction activity of 1131 SAA co... read more

Matrix-Boosted Electrochemiluminescence Biosensor for Ultrasensitive Exosome Detection and Automated Phenotype Discrimination.

ACS sensors May 28, 2026

Accurate quantification and phenotypic discrimination of exosomes in complex biological fluids remain technically challenging sensing issues, yet they are essential for early cancer diagnosis. To address this challenge, an ultrasensitive electrochemi... read more

Interpretable machine-learning prognosis of mycetoma from routine clinical data.

Transactions of the Royal Society of Tropical Medicine and Hygiene May 28, 2026

BACKGROUND: Mycetoma is a chronic tropical infection with limited tools for predicting treatment outcomes. METHODS: Routinely collected demographic, clinical, imaging, etiological, treatment, and follow-up data from 1,084 patients at the Mycetoma Res... read more

AI-driven triage classification at the 1 Gy threshold using dietary supplements and portable OSL dosimetry.

Radiation protection dosimetry May 28, 2026

In radiological emergency scenarios, the rapid distinction between individuals exposed below or above the 1 Gy triage threshold is essential for effective medical sorting and optimized resource allocation. This study proposes a binary classification ... read more

Asymmetric Drug-Drug Interaction Prediction Based on Generative Adversarial Networks and Knowledge Graph.

Journal of computational biology : a journal of computational molecular cell biology May 28, 2026

Drug-drug interaction (DDI) prediction remains a significant challenge due to the complexity of biological systems and the growing demand for precise predictions. Recent advances in deep learning have been successfully applied to DDI prediction. Howe... read more

Are We Underestimating Overfitting?

Journal of chemical information and modeling May 28, 2026

It is a well-established dogma in quantitative structure-activity relationships (QSAR) that parsimonious models generalize best and that overfitting must be avoided. As the number of fitted parameters in a model approaches the number of training exam... read more

Indolizine Compound Selection for HPV Anticancer Active Prediction Using CNN Classifier with ADME Descriptors.

Assay and drug development technologies May 28, 2026

Despite the significant progress made in developing different in silico methodology for structure activity research over the past few decades. The ability to predict correlation structure activity (CSA) from absorption distribution metabolism excreti... read more

Access to maintenance and repair services for wheelchairs: a qualitative study of multi-stakeholder perspectives.

Disability and rehabilitation. Assistive technology May 28, 2026

PURPOSE: Wheelchair maintenance and repair services are critical for sustaining mobility, independence, and participation in daily activities. However, systemic inefficiencies, policy constraints, and workforce shortages contribute to prolonged repai... read more

Artificial Intelligence Medical Compendium