Identifying new subgroups among children and adolescents with obesity and metabolic syndrome requires advanced clustering techniques capable of analyzing complex multidimensional data. This study aimed to employ machine learning methods to enhance th...
Selecting appropriate machine learning (ML) methods for domain-specific tasks remains a persistent challenge, particularly in medicine where datasets are often small, heterogeneous, and incomplete. Traditional benchmarking strategies rely on limited ...
Due to the widespread COVID-19 vaccinations, we are focusing more on side effects to immunizations that might affect people's perceptions, and ultimately vaccine hesitancy. Machine learning (ML)-based predictive models using individual-level data ser...
OBJECTIVE: This investigation seeks to examine how varying longitudinal patterns in nutritional inflammatory index (NII) correlate with clinical outcomes in cervical cancer patients, while developing predictive models for prognosis.
Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for analyzing complex mixtures due to its ability to manage matrix complexity, provide detailed molecular insights, and preserve sample integrity. In metabolomics, NMR enables the ident...
BACKGROUND: Newborn screening (NBS) enables early detection of metabolic disorders, but current tandem mass spectrometry (MS/MS) methods often lead to false positives and require confirmatory testing, causing diagnostic delays. We evaluated whether i...
BACKGROUND: Parkinson's disease is a movement disorder featuring motor symptoms and cognitive decline, which can manifest as mild cognitive impairment. The incidence of mild cognitive impairment increases with disease progression, and Parkinson's dis...
Accurate classification of water quality and precise prediction of the Water Quality Index (WQI) are essential for safeguarding aquatic ecosystems and mitigating disease risks in aquaculture. This study systematically evaluates multiple machine learn...
Journal of chemical information and modeling
Nov 18, 2025
We present a simple methodology that allows the building and sharing of predictive models without compromising the confidentiality of the structures of the training series. Multiple shared models can be used to obtain ensemble models, providing bette...
Journal of chemical information and modeling
Nov 18, 2025
The design of novel molecules underpins advances in both drug discovery and biomaterials engineering. Traditional approaches, from natural product isolation to high-throughput screening, have delivered important therapeutics but remain costly, ineffi...
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