Active Learning for the Discovery of Antiviral Polymers
Machine learning and active learning are integrated to accelerate the discovery of antiviral polymers. Molecular descriptors derived from polymer composition enable predictive modeling of antiviral activity, while unsupervised clustering explores chemical diversity. The active learning workflow identifies optimal candidates for synthesis, demonstrating
Clodagh M Boland +2 more
wiley +1 more source
An explainable ensemble machine learning model using baseline blood transcriptomics to predict Parkinson's disease motor progression. [PDF]
Fırat Y.
europepmc +1 more source
Abstract Background Clinical outcome assessments (COAs) are essential for evaluating symptom severity, treatment response, and disease progression in Parkinson's disease (PD). As clinical knowledge evolves, it is necessary to revisit the recommendation status on the COAs to ensure their continued relevance and validity. Objectives To provide an updated
Evita Papathoma +14 more
wiley +1 more source
Risk Stratification for In-Hospital Mortality in Alzheimer's Disease Using Interpretable Regression and Explainable AI. [PDF]
Alkam T, Tarshizi E, Benschoten AHV.
europepmc +1 more source
Abstract Background Dystonia in children is a heterogeneous condition with variable response to deep brain stimulation (DBS). Brain‐age gap, a machine learning‐derived metric of structural deviation from norm, may capture signatures that differentiate underlying biotypes and predict outcomes.
Timur H. Latypov +11 more
wiley +1 more source
Development of a predictive model for in-hospital new-onset atrial fibrillation in older adults with hypertension and acute myocardial infarction, enhanced by SHAP interpretability: a retrospective cohort study. [PDF]
Ge X +5 more
europepmc +1 more source
Abstract Background Blood–brain barrier disruption is increasingly recognized in synucleinopathies, but the role of the endothelial glycocalyx (GLX) in Parkinson's disease (PD) and multiple system atrophy (MSA) remains unclear. Objectives The aim was to determine whether plasma GLX markers differ between PD, MSA, and healthy controls (HC), relate to ...
Jonas Folke +15 more
wiley +1 more source
Prediction of Smartphone Addiction Among Korean Adolescents Based on Physical Activity and Mental Health: A Machine Learning Analysis Using LASSO and SHAP From the Korea Youth Risk Behavior Survey. [PDF]
Lee K, Seo W, Jung SY.
europepmc +1 more source
Exploring the Strengths and Limitations of Polymer Chemistry Informed Neural Networks
PCINNs are able to reach high levels of predictive performance utilizing imperfect kinetic models and a relatively small dataset, with reliable extrapolation at reaction temperatures significantly beyond the range of the original dataset. ABSTRACT Kinetic models are essential tools for providing a fundamental understanding of polymerization processes ...
Shaghayegh Hamzehlou +2 more
wiley +1 more source

