Journal of chemical information and modeling
Nov 6, 2025
Drug repositioning accelerates therapeutic discovery, but existing computational methods are hampered by representation collapse, noisy supervision, and suboptimal negative sampling. To address these limitations, we introduce MGTAL-DR, a novel graph ...
Journal of chemical information and modeling
Nov 6, 2025
Inverse molecular design faces significant challenges due to vast chemical space and complex property requirements. While language models show promise for molecular generation, they struggle with validity, multi-property optimization, and structural ...
Journal of chemical information and modeling
Nov 6, 2025
The sigma-2 receptor (σR/TMEM97) is a clinically relevant membrane protein involved in cholesterol regulation and overexpressed in cancer and neurodegenerative diseases. Despite its therapeutic potential, the dynamic mechanisms underlying σR function...
Journal of the American Heart Association
Nov 6, 2025
BACKGROUND: Artificial intelligence-guided quantitative computed tomography ischemia (AI-QCT) is a novel machine-learning method for predicting myocardial ischemia from coronary computed tomography angiography (CCTA). This observational cohort study ...
BACKGROUND: Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease characterized by the interplay of genetic and environmental factors, and currently, there there is a lack of effective diagnostic or therapeutic strategies available...
BMC medical informatics and decision making
Nov 6, 2025
BACKGROUND: Adolescent depression is a major public health concern. Physical health indicators are rarely included in risk tools. We examined whether adding dry eye disease (DED) to psychosocial and behavioral factors improves prediction of depressiv...
BMC medical informatics and decision making
Nov 6, 2025
BACKGROUND: Making precise treatment decisions in esophageal cancer is essential for enhancing patient outcomes and avoiding overtreatment. Traditional approaches relying on special features or shallow learning models often fail to capture the comple...
BACKGROUND: Spatial transcriptomics have emerged as a powerful tool in biomedical research because of its ability to capture both the spatial contexts and abundance of the complete RNA transcript profile in organs of interest. However, limitations of...
Allergic skin disease conditions represent a significant global health challenge, with conventional therapies frequently associated with local dermal irritation and systemic adverse effects. Nanotechnology-enabled transdermal drug delivery platforms ...
Early detection of human activity is essential in domains including robotics, entertainment, surveillance, and healthcare. Early detection that is accurate enables prompt decision-making, enhancing system responsiveness and overall effectiveness. Con...
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