AI Medical Compendium

Screening and classification of anti-angiogenic VEGFR2 inhibitors with supervised machine learning, deep learning and molecular docking and molecular dynamics simulation.

Journal of molecular graphics & modelling Apr 3, 2026

Vascular Endothelial Growth Factor Receptor 2 (VEGFR2) is a critical therapeutic target in cancer due to its role in pathological angiogenesis and tumor progression. Despite available FDA-approved VEGFR2 tyrosine kinase inhibitors (TKIs), challenges ... read more

Using Machine Learning to Design Effective Antimicrobial Dosing Regimens.

Computers & chemical engineering Apr 3, 2026

Resistant bacterial infections remain a major clinical challenge, often necessitating combination therapy, namely use of two or more antibiotics with different mechanisms of action. However, the systematic design of such therapies is still lacking. T... read more

Predicting disintegration time in fast-disintegrating tablets using machine learning: a data-driven framework based on functional excipient representation.

International journal of medical informatics Apr 3, 2026

BACKGROUND: Fast-disintegrating tablets (FDTs) are widely used oral dosage forms in which disintegration time is a critical quality attribute influencing drug release and patient compliance. However, formulation development is challenging due to comp... read more

A fully homomorphic encryption federated learning architecture for privacy preserving in industrial internet of things.

MethodsX Apr 3, 2026

We are currently entering the fifth revolution of industry - Industry 5.0. IIoT is the domain where massive quantities of data are flourished by the associated devices in an industry on a daily basis. To realize industry 4.0, the Industrial internet ... read more

Reproducible orchestration of best practices for reaction path optimization with the nudged elastic band.

MethodsX Apr 3, 2026

The nudged elastic band (NEB) method is the standard approach for finding minimum energy paths and transition states on potential energy surfaces. Practical NEB calculations require several pre-processing steps: endpoint minimization, structural alig... read more

Map is not territory: building useful antimicrobial resistance models.

Trends in microbiology Apr 3, 2026

Response to the comment on "Machine learning-based prediction of CAC-defined cardiovascular risk using routine health examination data".

Journal of the Formosan Medical Association = Taiwan yi zhi Apr 3, 2026

Quantifying airborne vessel noise on large rivers: A novel approach combining acoustic drifters and machine learning.

Environmental pollution (Barking, Essex : 1987) Apr 3, 2026

Vessel noise in large rivers poses a growing threat to riparian ecosystems and human communities, yet its large-scale airborne distribution remains poorly monitored. This study introduces an innovative framework combining mobile observations with mac... read more

Integrating Multi-Omics and Artificial Intelligence for Personalized Breast Cancer Management: A Guide to Clinicians.

Cancer letters Apr 3, 2026

Breast cancer's (BC) diverse nature and global impact demand tailored clinical strategies. Conventional screening methods often fall short in early detection and individualized risk assessment. By merging multi-omics technologies such as genomics, tr... read more

Preoperative functional connectivity patterns predict tremor relief following MRgFUS thalamotomy in essential tremor: A machine learning investigation.

Neurobiology of disease Apr 3, 2026

BACKGROUND: Magnetic resonance-guided focused ultrasound (MRgFUS) thalamotomy made a breakthrough in treating essential tremor (ET), but with variable tremor responses. This study employed support vector machine regression (SVR) to predict tremor res... read more

Artificial Intelligence Medical Compendium