Journal of chemical information and modeling
Jul 29, 2025
We introduce Atomistic learned potentials in JAX (apax), a flexible and efficient open source software package for training and inference of machine-learned interatomic potentials. Built on the JAX framework, apax supports GPU acceleration and implem...
Journal of chemical information and modeling
Jul 29, 2025
Heterocycles are important scaffolds in medicinal chemistry that can be used to modulate the binding mode as well as the pharmacokinetic properties of drugs. The importance of heterocycles has been exemplified by the publication of numerous data sets...
BACKGROUND: Rapid extraction and visualization of cell-specific gene expression is important for automatic cell type annotation, e.g. in single cell analysis. There is an emerging field in which tools such as curated databases or machine learning met...
BMC medical informatics and decision making
Jul 29, 2025
INTRODUCTION: The use of machine learning (ML) in intensive care units (ICUs) has led to a large yet fragmented body of literature. It is imperative to conduct a systematic analysis and synthesis of this research to identify methodological trends, cl...
Criteria to identify patients who are ready to be liberated from mechanical ventilation (MV) are imprecise, often resulting in prolonged MV or reintubation, both of which are associated with adverse outcomes. Daily protocol-driven assessment of the n...
Human activity recognition (HAR), driven by machine learning techniques, offer the detection of diverse activities such as walking, running, and more. Considering the dynamic nature, limited energy and mobility of wireless body area networks (WBANs),...
Accurate pain assessment is essential for effective management; however, most studies have focused on differentiating pain from non-pain or estimating pain intensity rather than distinguishing between distinct pain types. We present a machine learnin...
BACKGROUND: The COVID-19 pandemic highlighted the need to understand factors influencing individuals' risk perceptions and health behaviors. This study aimed to explore the roles of individuals' knowledge, perception, and health-related issues in det...
BACKGROUND: Obesity is a known risk factor for breast cancer (BC), but conventional metrics such as body mass index (BMI) may insufficiently capture central adiposity. The weight-adjusted waist index (WWI) has emerged as a potentially superior anthro...
Statins are widely prescribed for the primary prevention of cardiovascular diseases, yet individual responses vary, necessitating personalized treatment strategies. Conventional approaches prioritize treating high-risk patients, but advancements in m...
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