BACKGROUND AND AIM: The antioxidant diet and lifestyle are widely believed to prevent and even treat various diseases; however, their applicability to cardiovascular-kidney-metabolic (CKM) syndrome remains unknown. In this study, the correlation betw...
Graft incompatibility is a key factor in the development of dwarf and semi dwarf rootstocks for sweet cherry (Prunus avium L.) to improve yield, fruit quality, precocity, and labor efficiency. This study evaluated the graft incompatibility of eight g...
BACKGROUND: There is still no clinical biomarker to diagnose depression. Given the complexity of a multifactorial disease like depression, a single biomarker is unlikely to capture the full heterogeneity of the disease and be applicable in clinical p...
Antibodies are naturally evolved molecular recognition scaffolds that can bind a variety of surfaces. Their designability is crucial to the development of biologics, with computational methods holding promise in accelerating the delivery of medicines...
This study aims to develop a machine learning (ML)-based predictive model for assessing the risk of multilobar pulmonary consolidation in children with macrolide-resistant pneumonia (MRMP) caused by the 23S rRNA A2063G mutation, a subgroup underrepr...
Journal of chemical information and modeling
Oct 8, 2025
Reliable methods to quantify the predictive uncertainty of machine learning (ML) models can significantly increase the impact of molecular property prediction and are routinely used in applications like active learning and ML-guided property optimiza...
Journal of chemical information and modeling
Oct 8, 2025
Many successful machine learning models for molecular property prediction rely on Lewis structure representations, commonly encoded as SMILES strings. However, a key limitation arises with molecules exhibiting resonance, where multiple valid Lewis st...
Having an accurate reaction coordinate (RC) is essential for reliable kinetic characterization of molecular processes, but there are few quantitative metrics to evaluate RC quality. In this study, we consider the dimensionless γ metric from the Expon...
BACKGROUND: Neonatal Intrahepatic Cholestasis caused by Citrin Deficiency (NICCD) is an autosomal recessive disorder affecting the urea cycle and energy metabolism. Newborn screening (NBS) usually relies on elevated citrulline, but some patients have...
BACKGROUND: Cholera, caused by Vibrio cholerae, is a global health challenge, spreading through water in areas lacking clean water and sanitation. Since 2021, the reemergence of cholera cases has increased significantly in endemic regions in Africa. ...
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