AI Medical Compendium

Integrating AI in Medicinal Chemistry for Accelerated Drug Discovery: A Comprehensive SAR (CSAR) Optimization Strategy and Discovery of Potent ALDH3A1 Inhibitors.

Journal of medicinal chemistry May 30, 2026

Developing potent, selective small-molecule inhibitors remains a major challenge in drug discovery. ALDH3A1, a detoxifying aldehyde dehydrogenase isoform implicated in cancer and neurodegeneration, is a promising yet underexplored therapeutic target.... read more

Computing Anharmonic Free Energies in Solids with Machine-Learning Interatomic Potentials.

The journal of physical chemistry letters May 30, 2026

Accurate free energies are essential for understanding phase stability and constructing phase diagrams, yet harmonic and quasiharmonic approximations become increasingly inaccurate at elevated temperatures, while thermodynamic integration remains com... read more

pKa Predicting Models Trained with a Tautomer-Compatible Graph Dataset with Quantum Chemical Features.

Journal of chemical information and modeling May 30, 2026

G-pKa, a database of 6379 experimental pKa values and QM properties from more than 39000 structures, and pKa predicting models are presented. The data include molecular, atomic, and interatomic properties and are organized as graphs, enabling their u... read more

Machine Learning-Enhanced SERS Sensor Using Microgroove Structures for Enriching and Confining Nanoplastics in Localized 3D Hotspots.

Analytical chemistry May 30, 2026

Trace detection of nanoplastics (NPs) is limited by random analyte deposition and poor contact with hotspots. A major hurdle for on-site monitoring is the precise localization of enriched analytes. To address these challenges, we developed a 3D Ag/In... read more

Multimodal machine learning for early risk stratification of post-stroke cognitive impairment.

Journal of Alzheimer's disease : JAD May 30, 2026

BackgroundPost-stroke cognitive impairment (PSCI) is a major vascular contributor to dementia, significantly impacting long-term recovery and quality of life. Developing accurate prediction models are essential for early identification and timely int... read more

A century of coffee and tea research in cognitive health and Alzheimer's disease: Structural, thematic, and translational insights (1911-2025).

Journal of Alzheimer's disease : JAD May 30, 2026

BackgroundAlthough studies have explored tea and coffee in relation to Alzheimer's disease, no century-scale analysis has jointly examined both within a unified primary-evidence framework.ObjectiveThis study maps the structural, thematic, and tempora... read more

Prevalence and Predictors of Non-Exclusive Breastfeeding at Hospital Discharge in Uruguay.

Journal of human lactation : official journal of International Lactation Consultant Association May 30, 2026

BACKGROUND: The prescription of infant formula during postpartum hospitalization is one of several factors that influence breastfeeding. RESEARCH AIMS: To analyze the prevalence of non-exclusive breastfeeding at hospital discharge in Uruguay, a Latin... read more

Predicting facility delivery and its determinants among reproductive-age women in Ethiopia using machine learning algorithm: evidence from performance monitoring for action Ethiopia 2019 dataset.

BMC pregnancy and childbirth May 30, 2026

BACKGROUND: Facility delivery attended by skilled health professionals is a critical strategy for reducing maternal and neonatal mortality. Despite substantial efforts to expand maternal health services in Ethiopia, a large proportion of births still... read more

Exosomes in bone health and disease: cellular crosstalk, systemic signaling, and AI-driven advances in regenerative therapy.

Stem cell research & therapy May 30, 2026

Exosomes have emerged as critical mediators of intercellular and inter-organ communication in bone biology. Secreted by bone-resident cells such as osteoblasts, osteoclasts, osteocytes, and mesenchymal stem cells (MSCs), these nanosized vesicles carr... read more

Large language models in implant dentistry: a scoping review of applications, performance, and limitations.

BMC oral health May 30, 2026

BACKGROUND: This scoping review evaluates the current state of generative artificial intelligence (AI) in implant dentistry, focusing on the performance, clinical applications, and inherent limitations of large language models (LLMs) in both clinical... read more

Artificial Intelligence Medical Compendium