Curcuma, a key ingredient in curry and a popular health supplement, has been subject to adulteration and fraudulent origin labeling. In this study, E-eye, Flash GC e-nose, and FT-NIR, combined with machine learning and multivariate algorithms, were e...
The spine journal : official journal of the North American Spine Society
Mar 27, 2025
BACKGROUND CONTEXT: A machine learning (ML) model was recently developed to predict massive intraoperative blood loss (>2,500 mL) during posterior decompressive surgery for spinal metastasis that performed well on external validation within the same ...
OBJECTIVE: This study aims to construct and compare four machine learning models using the MIMIC-IV database to identify high-risk factors for multidrug-resistant organism (MDRO) infection in Ventilator-associated pneumonia (VAP) patients.
Chemical graphs are mathematical representations of molecular structures, where atoms are represented as vertices, while chemical bonds are depicted as edges of a graph. The chemical graphs are widely used in cheminformatics to analyze molecular prop...
Organophosphorus pesticides (OPPs) are widely used in agriculture but pose significant ecological and human health risks due to their persistence and toxicity in the environment. While microbial degradation offers a promising solution, gaps remain in...
Drug-induced cardiotoxicity (DICT) is a significant challenge in drug development and public health. DICT can arise from various mechanisms; New Approach Methods (NAMs), including quantitative structure-activity relationships (QSARs), have been exten...
Journal of chemical information and modeling
Mar 27, 2025
Cardiotoxicity refers to the inhibitory effects of drugs on cardiac ion channels. Accurate prediction of cardiotoxicity is crucial yet challenging, as it directly impacts the evaluation of cardiac drug efficacy and safety. Numerous methods have been ...
Accurate prediction of new compounds' pharmacokinetic (PK) profile in humans is crucial for drug discovery. Traditional methods, including allometric scaling and mechanistic modeling, rely on parameters from or testing, which are labor-intensive an...
Gold nanoparticles (GNPs), which appear red, are widely used as labels in lateral flow assays (LFAs) for visual detection. However, in blood-derived samples, hemolysis─caused by the rupture of red blood cells and the release of hemoglobin─creates a r...
Liquid biopsies are an emerging, noninvasive tool for cancer diagnostics, utilizing biological fluids for molecular profiling. Nevertheless, the current methods often lack the sensitivity and specificity necessary for early detection and real-time mo...
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