BACKGROUND: Ulcerative colitis (UC) is a persistent inflammatory bowels disease (IBD) characterized by immune response dysregulation and metabolic disruptions. Tryptophan metabolism has been believed as a significant factor in UC pathogenesis, with s...
BACKGROUND: Given the rapid increase in the prevalence of prostate cancer (PCa), identifying its risk factors and developing suitable risk prediction models has important implications for public health. We used machine learning (ML) approach to scree...
BACKGROUND: Liver injury from drug-drug interactions (DDIs), notably with anti-tuberculosis drugs such as isoniazid, poses a significant safety concern. Electronic medical records contain comprehensive clinical information and have gained increasing ...
OBJECTIVE: This study aims to establish a new prognostic index using machine learning models to predict the clinical outcomes of triple-negative breast cancer (TNBC) patients receiving neoadjuvant therapy.
BACKGROUND: Accurate fasting plasma glucose (FPG) trend prediction is important for management and treatment of patients with type 2 diabetes mellitus (T2DM), a globally prevalent chronic disease. (Generalised) linear mixed-effects (LME) models and m...
INTRODUCTION: Gadolinium-based T1-weighted MRI sequence is the gold standard for the detection of active multiple sclerosis (MS) lesions. The performance of machine learning (ML) and deep learning (DL) models in the classification of active and non-a...
BACKGROUNDS: Diagnostic prediction is a central application that spans various medical specialties and scenarios, sequential diagnosis prediction is the process of predicting future diagnoses based on patients' historical visits. Prior research has u...
Machine-learning models are key to modern biology, yet models trained on one dataset are often not generalizable to other datasets from different cohorts or laboratories due to both technical and biological differences. Domain adaptation, a type of t...
BACKGROUND: Digital mental health is a promising paradigm for individualized, patient-driven health care. For example, cognitive bias modification programs that target interpretation biases (cognitive bias modification for interpretation [CBM-I]) can...
SAR and QSAR in environmental research
Dec 20, 2024
A comprehensive computational strategy that combined QSAR modelling, molecular docking, and ADMET analysis was used to discover potential inhibitors for β-secretase 1 (BACE-1). A dataset of 1,138 compounds with established BACE-1 inhibitory activitie...
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