Journal of chemical information and modeling
Jul 25, 2025
Spectrum large language model (SpeLL) was developed to tackle core challenges in near-infrared (NIR) spectral data modeling─the high level of expertise and substantial workload required by researchers for method selection, implementation, and optimiz...
BACKGROUND: High intraoperative blood pressure variability (HIBPV) is significantly associated with postoperative adverse complications. However, practical tools to characterize perioperative factors associated with HIBPV remain limited. This study a...
Coronary artery disease (CAD) remains the leading cause of mortality, creating an urgent need for reproducible, image-based decision support. Although YOLOv8-based detectors underpin much of today's state-of-the-art stenosis detection, their accuracy...
A significant obstacle in brain tumor treatment planning is determining the tumor's actual size. Magnetic resonance imaging (MRI) is one of the first-line brain tumor diagnosis. It takes a lot of effort and mostly depends on the operator's experience...
BACKGROUND: Machine learning algorithms have been used to predict malaria risk and severity, identify immunity biomarkers for malaria vaccine candidates, and determine molecular biomarkers of antimalarial drug resistance. Developing these prediction ...
BACKGROUND: Intensive care unit (ICU)-acquired weakness (ICUAW) is a prevalent complication in critically ill patients, marked by symmetrical respiratory and limb muscle weakness, which adversely affects long-term outcomes. Early identification of hi...
GI diseases are one of the leading causes of morbidity and mortality worldwide, and early and accurate diagnosis is considered to be very important. Traditional methods like endoscopy take time and depend majorly on the judgment of the physician. The...
Education is crucial for the growth of effective life skills and the allocation of needed resources. Higher education institutions are adopting advanced technologies, such as artificial intelligence (AI), to enhance traditional teaching methods. Pred...
Breast cancer is characterized by the proliferation of abnormal breast cells that eventually turn into malignant tumors. These cancer cells can metastasize to be life-threatening and fatal. An intricate mix of environmental factors and individual gen...
Solubility is critical in drug discovery and development, as it significantly influences a medication's bioavailability and therapeutic efficacy. Understanding solubility at the early stages of drug discovery is essential for minimizing resource cons...
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