Journal of chemical information and modeling
Dec 30, 2025
Combination therapy is a method of treating complex diseases by using multiple drugs, which has the advantages of good efficacy and few toxic side effects. It has been widely used in clinical research. The significant increase in the number of drug c...
Journal of computer-aided molecular design
Dec 24, 2025
In recent decades, the rapid pace of digital transformation marks a transformative era for the healthcare and pharmaceutical industries. The incorporation of innovative technology, specifically Artificial Intelligence (AI) and its derivatives, has dr...
Student well-being prediction is of great significance for promoting personalized education and preventing mental health problems, but existing methods suffer from limitations including lack of psychological theory guidance, neglect of student relati...
Graph neural networks (GNNs) have emerged as a state-of-the-art data-driven tool for modeling connectivity data of graph-structured complex networks and integrating information of their nodes and edges in space and time. However, as of yet, the analy...
Accurate prediction of PM2.5 concentrations is crucial for public health and environmental management. However, effectively capturing complex spatiotemporal dependencies across multiple time scales remains a persistent challenge for existing methods,...
This paper addresses the challenges of dynamic environments and multimodal data fusion in multimodal transport path optimization for smart ports by proposing a GL-SSL Model that integrates Graph Neural Networks (GCN), Long Short-Term Memory (LSTM), a...
BACKGROUND: Accurate prediction of drug-target interactions (DTIs) is essential for advancing drug discovery. Although numerous computational methods have been proposed, many exhibit limited generalization, particularly when dealing with unseen drugs...
Transcranial magnetic stimulation is a non-invasive neurostimulation and neuromodulation technique that induces electric fields (-fields) in the brain via a coil placed over the scalp. Our objective is to develop a real-time estimation method for the...
Interindividual variation in biological responses to physiological stimuli is a widely recognized phenomenon. However, effective computational tools for identifying the individual-specific mechanisms remain limited. We present the bioreaction-variati...
Epidermal Growth Factor Receptor (EGFR) plays a critical role in the development of several cancers. Thus, modulation/inhibition of EGFR activity is an appealing target of developing novel cancer therapeutics. With the advent of modern machine learni...
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.