AI Medical Compendium

Emerging 2D Materials for Green Ammonia Electrosynthesis: Integrating Experimental, Computation, and Machine Learning Strategies Toward Commercialization.

ChemSusChem May 27, 2026

Electrochemical nitrogen reduction reaction (NRR) offers a sustainable route for ammonia synthesis, facilitating reduction of fossil fuels and reducing carbon footprint. This review critically examines emerging 2D materials like doped graphene, MXene... read more

Machine Learning-Guided Discovery of Efficient Metal-Organic Frameworks for Volatile Organic Compound Removal: A Case Study on CCl4.

Chemphyschem : a European journal of chemical physics and physical chemistry May 27, 2026

The adsorption of carbon tetrachloride (CTC) in MOFs was investigated by integrating GCMC simulations at 298.15 K and 10 kPa with machine learning (ML). The structural properties, including the largest cavity diameter, pore limiting diameter, and acc... read more

A 24-Day MicroCycle Journey to Interleukin-17 Inhibitors: From Library Design to Central Core Prioritization and Capping Group Identification.

ChemMedChem May 27, 2026

We herein report an application of the MicroCycle platform, which leverages advanced machine learning models, automation, and miniaturization of processes to accelerate the exploration of chemical space through libraries. This approach was applied to... read more

Prioritizing emerging organic pollutants in rivers of Thailand using suspect screening analysis with high-resolution mass spectrometry.

Environmental science. Processes & impacts May 27, 2026

Efforts to regulate emerging organic pollutants (EOPs) as new chemicals enter the market are often inadequate, and many potentially harmful EOPs remain unregulated especially in Thailand. Wastewater treatment plants, which are ineffective at eliminat... read more

Engineering Oriented Pt Deposition via Micro-Nano Crisscross Scaffolds: A Paradigm for High-Efficiency HER Catalyst.

ChemSusChem May 27, 2026

A critical issue for the hydrogen evolution reaction (HER) is to break the inherent trade-off between catalytic activity and mass/charge transport in platinum-based electrocatalysts. In this work, inspired by the hierarchical coupling of vascular and... read more

Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfaces.

Physical chemistry chemical physics : PCCP May 27, 2026

Electric dipole and polarizability surfaces are developed for the methanol molecule using ab initio electronic structure data, computed at the CCSD/aug-cc-pVTZ level of theory, and equivariant neural networks. These property surfaces are used to comp... read more

Elucidating CO2 dynamics in high-entropy MOF-74 via machine learning interatomic potentials.

Physical chemistry chemical physics : PCCP May 27, 2026

High entropy variants of MOF-74 have demonstrated enhanced CO2 adsorption performance, yet it remains unclear whether homogenous metal mixing alone produces intrinsic enhancements in transport beyond the behavior of single metal parents. We develop a... read more

Self-powered intelligence for personalized healthcare.

National science review May 27, 2026

Personalized healthcare is crucial for transforming medical practice, offering more precise, efficient, and patient-centerd care. It not only improves individual health outcomes but also enhances the overall efficiency of healthcare systems. Wearable... read more

AI and mechanistic modeling for characterizing biosynthetic pathways of natural products.

Natural product reports May 27, 2026

Covering: 2020 to 2025Natural products are a major source of bioactive compounds, yet elucidating their biosynthetic pathways remains a major challenge due to complex genotype-phenotype relationships. Recent advances in computational approaches, part... read more

Optimising implantable loop recorder alerts with artificial intelligence: role of R-wave amplitude and workload reduction.

Heart (British Cardiac Society) May 26, 2026

BACKGROUND: False-positive (FP) alerts from implantable loop recorders increase clinical workload and may delay appropriate intervention. AccuRhythm AI, a cloud-based filtering algorithm, is designed to reduce these alerts in Reveal LINQ and LINQ II ... read more

Artificial Intelligence Medical Compendium