OBJECTIVE: Several factors (e.g., interpersonal stress, affect) predict loss-of-control (LOC) eating and overeating in adolescents, but most past research has tested predictors separately. We applied machine learning to simultaneously evaluate multip...
Drug discovery, a multifaceted process from compound identification to regulatory approval, historically plagued by inefficiencies and time lags due to limited data utilization, now faces urgent demands for accelerated lead compound identification. I...
While there is clear potential for artificial intelligence (AI) and machine learning (ML) models to help improve food safety, the development and deployment of these models in the food safety domain are by and large lacking. The absence of publicly a...
Journal of chemical theory and computation
Feb 6, 2025
Graph neural network (GNN) architectures have emerged as promising force field models, exhibiting high accuracy in predicting complex energies and forces based on atomic identities and Cartesian coordinates. To expand the applicability of GNNs, and m...
Journal of chemical information and modeling
Feb 6, 2025
Traditionally, designing novel materials involves exploring new compositions guided by insights from previous work, relying on a trial-and-error approach, where continuous synthesis and characterization proceed until the properties meet the improveme...
Journal of chemical information and modeling
Feb 6, 2025
In the realm of drug discovery and design, the accurate prediction of protein-ligand binding affinity is of paramount importance as it underpins the functional interactions within biological systems. This study introduces a novel self-supervised lear...
Efficient separation of blood plasma and Packed Cell Volume (PCV) is vital for rapid blood sensing and early disease detection, especially in point-of-care and resource-limited environments. Conventional centrifugation methods for separation are reso...
International journal of molecular sciences
Feb 6, 2025
Transient receptor potential vanilloid 4 (TRPV4) is a calcium-permeable cation channel critical for maintaining intracellular Ca homeostasis and is essential in regulating immune responses, metabolic processes, and signal transduction. Recent studies...
The degeneration of the intervertebral discs in the lumbar spine is the common cause of neurological and physical dysfunctions and chronic disability of patients, which can be stratified into single-(e.g., disc herniation, prolapse, or bulge) and com...
BACKGROUND: Theoretical models of conduct disorder (CD) highlight that deficits in emotion recognition, learning, and regulation play a pivotal role in CD etiology. With CD being more prevalent in boys than girls, various theories aim to explain this...
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