AI Medical Compendium

Real-World Assessment of Machine-Learned Docking Using Bioassay-Derived Benchmarks.

Journal of chemical information and modeling Jul 21, 2026

The rapid expansion of compound libraries has significantly advanced drug discovery, especially through ultralarge library screenings that provide access to vast chemical spaces. However, the sheer scale of these libraries introduces substantial chal... read more

Generative AI-Assisted Discovery of HPK1 Inhibitors.

Journal of medicinal chemistry Jul 21, 2026

Generative artificial intelligence (AI) is now widely applied in medicinal chemistry, with detailed case studies emerging in the literature. Here, we describe an early application of REINVENT, AstraZeneca's in-house generative molecular design platfo... read more

Coupling High-Throughput Density Functional Theory, Automated Experimentation, and Adaptive Experimental Design To Achieve Selective Rare-Earth Element Separations.

Journal of the American Chemical Society Jul 21, 2026

Developing new separation technologies for rare-earth elements is essential for sustaining the critical materials supply chain. Toward this end, we developed a pH-controlled solvent extraction strategy employing an aqueous-phase holdback agent to ena... read more

Analysis of influencing factors for social avoidance and distress among infertile patients based on LASSO and XGBoost algorithms.

Journal of psychosomatic obstetrics and gynaecology Jul 21, 2026

OBJECTIVE: Infertility negatively impacts mental health and quality of life, with social avoidance and distress (SAD) being a key but underrecognized issue. This study aims to analyze SAD risk factors in infertility patients. METHODS: A retrospective... read more

Enhancing objective structured clinical examination performance through an artificial intelligence virtual patient: a proof-of-concept study.

Proceedings (Baylor University. Medical Center) Jul 21, 2026

BACKGROUND: The application of artificial intelligence (AI) in simulating detailed patient-doctor interactions for objective structured clinical examinations (OSCEs) remains emerging. This study aimed to evaluate an AI virtual patient (AIVP) innovati... read more

Extending Protein Language Models to a Viral Genomic Scale Using Biologically Induced Sparse Attention.

GigaScience Jul 21, 2026

The transformer architecture in deep learning has revolutionized protein sequence analysis. Recent advancements in protein language models have paved the way for significant progress across various domains, including protein function and structure pr... read more

UMCA-Net: Uncertainty-aware multi-stage cross-attention for cost-aware multi-omics data classification.

Computers in biology and medicine Jul 21, 2026

Multi-omics data integration holds great promise for precision medicine, yet its clinical adoption is hindered by high acquisition costs and the complexity of heterogeneous data representations. To address these challenges, we propose an uncertainty-... read more

Morphology-preserving transfer-guided GAN with adaptive discriminative loss for robust and imbalanced ECG arrhythmia detection.

Computers in biology and medicine Jul 21, 2026

Electrocardiogram (ECG) based arrhythmia detection remains challenging due to severe class imbalance, morphological variability, and noise commonly present in wearable monitoring environments. Traditional augmentation techniques often distort clinica... read more

Large language models and chatbots in orthodontic patient education: A systematic review and meta-analysis.

International orthodontics Jul 21, 2026

INTRODUCTION: Patients now arrive at the orthodontic consultation having already consulted a chatbot, yet the accuracy, quality and readability of these tools lack quantitative synthesis. METHODS: Six databases and one trial register were searched on... read more

BRIDGE: Bottleneck-Aware Regulator-Set Inference and Diagnosis for Cooperative Gene Regulatory Recovery

arXiv Jul 21, 2026

Cooperative gene regulation often depends on groups of regulators acting jointly, but most gene regulatory network (GRN) inference methods output pairwise regulator-target rankings. We introduce Bottleneck-Aware Regulator-Set Inference and Diagnosis ... read more

Machine Learning

Artificial Intelligence Medical Compendium