AI Medical Compendium

Recent advances in AI-driven pKa prediction for proteins and small molecules.

Current opinion in structural biology Feb 15, 2026

Advances in machine-learning techniques and the availability of high-quality pKa databases have promoted the development of AI-driven pKa predictors. This review surveys recent advances in AI-driven pKa prediction for both proteins and small molecule... read more

Bridging Guidance and Regulation: Interpreting the Draft Annex 22 on Artificial Intelligence in GMP Manufacturing.

PDA journal of pharmaceutical science and technology Feb 15, 2026

This paper builds upon Stassen et al. (2025), "Recommendations for Artificial Intelligence Application in Continued Process Verification," to provide a detailed interpretation of the European Medicines Agency (EMA) Draft Annex 22 - Artificial Intelli... read more

Corrigendum to "Predicting postpartum glucose intolerance in women with gestational diabetes mellitus in primary care: A machine learning approach using XGBoost and SHAP values" [Diabetes Res. Clin. Pract. 232 (2026) 113098].

Diabetes research and clinical practice Feb 15, 2026

Computational Modeling Meets 3D Bioprinting: Emerging Synergies in Cardiovascular Disease Modeling.

Advanced healthcare materials Feb 15, 2026

Cardiovascular diseases (CVDs) remain the leading cause of death worldwide, underscoring the need for improved strategies in diagnosis, treatment, and disease modeling. Traditional in vitro models often fall short in replicating human CV physiology, ... read more

Staged Diversity-Constrained Machine Learning for High-Dimensional Reaction Condition Optimization.

Angewandte Chemie (International ed. in English) Feb 15, 2026

Optimizing reaction conditions in high-dimensional chemical spaces remains a central challenge in modern synthesis. In this context, we developed and evaluated a staged diversity-constrained machine learning framework that efficiently balances explor... read more

Multimodal Cross-Attentive Graph-Based Framework for Predicting In Vivo Endocrine Disruptors.

Advanced science (Weinheim, Baden-Wurttemberg, Germany) Feb 15, 2026

Endocrine hazard assessment needs models that are accurate and mechanistically transparent. We present a multimodal cross-attentive graph framework that fuses molecular graphs with adverse-outcome-pathway (AOP)-anchored assay signals to predict organ... read more

Bioinspired Cold-Laminated Ultrathin Hydrogels as a Broadly Adaptive Platform for Physiological Monitoring.

Advanced science (Weinheim, Baden-Wurttemberg, Germany) Feb 15, 2026

Soft bioelectronics provide a powerful platform for physiological monitoring, yet conventional hydrogel-based devices are constrained by inherent trade-offs between thickness, robustness, and multifunctionality, restricting their adaptability across ... read more

Dissociative N2 Activation on Dual-Atom Catalysts Driven by Symmetric d-Electron Configuration for Urea Electrosynthesis.

The journal of physical chemistry letters Feb 15, 2026

Electrochemical urea synthesis offers a sustainable alternative to the energy-intensive Bosch-Meiser process but is hindered by N2 inertness and inefficient C-N bond formation. Herein, we propose a dissociative mechanism in which molecular N2 is init... read more

MetaboliteAnnotator: AI-Assisted Name Harmonization and Metadata Enrichment Tool for Metabolomics.

Journal of proteome research Feb 15, 2026

Metabolite metadata enrichment remains a significant challenge in metabolomics due to the limitations of static databases, incomplete metabolite coverage, and the labor-intensive nature of manual verification. Here, we present MetaboliteAnnotator, an... read more

Use of artificial intelligence in transfusion medicine practice, education and research: A mixed methodology study.

Vox sanguinis Feb 15, 2026

BACKGROUND AND OBJECTIVES: The artificial intelligence (AI) field holds significant promise to revolutionize healthcare, including transfusion medicine (TM). This study explored AI use in TM, education and research among International Society of Bloo... read more

Artificial Intelligence Medical Compendium