AI computing's rapid expansion is steeply increasing data center electricity use, intensifying sustainability concerns. We develop the first framework that couples deep reinforcement learning (DRL) control with cost-effective optimization to boost ef...
Journal of chemical information and modeling
Dec 17, 2025
The accurate identification of drug-target interactions is crucial for shortening the timeline and lowering the expenses of pharmaceutical research, as the discovery of novel drugs remains a highly complex, resource-intensive, and lengthy endeavor. D...
Journal of chemical information and modeling
Dec 17, 2025
In recent years, deep learning techniques have made significant advances in drug-target affinity (DTA) prediction. However, existing models still have considerable room for improvement in prediction accuracy, robustness, and generalization ability. T...
Journal of chemical information and modeling
Dec 17, 2025
Infrared (IR) spectroscopy is a broadly used tool to solve the molecular structures of unknown compounds. Though the theory of generating IR spectra from molecules is well established, the inverse problem of solving molecular structures from given sp...
Early and reliable diagnostic tools are critical for slowing the progression of Alzheimer's disease (AD), a neurodegenerative disorder characterized by memory loss and cognitive decline. This study introduces, ViTTL, lightweight deep learning framewo...
BACKGROUND: Knee cartilage injury (KCI) poses significant challenges in the early clinical diagnosis process, primarily due to its high incidence, the complexity of healing, and the limited sensitivity of initial imaging modalities.
Retinal vein cannulation (RVC) is an emerging method for treating retinal vein occlusion (RVO). The success of this procedure depends on surgeon expertise and, recently, robotic assistance. This paper proposes an autonomous RVC workflow leveraging de...
The estimation of weaning duration from incremental dentine δ15N and δ13C values offers insights into health, nutrition, and demography in past populations. In this study, we developed a novel machine learning approach to estimate weaning duration us...
Journal of chemical information and modeling
Dec 16, 2025
In this study, we pursued a structure-based drug discovery campaign targeting the SARS-CoV-2 helicase through three rounds of virtual screening (VS) enhanced with Artificial Intelligence (AI). The third round incorporated a deep neural network (DNN) ...
DeepSeek, an AI-driven platform, revolutionizes epidemic management through early warning systems, trend prediction, treatment optimization, and public consultation. By integrating multi-source real-time data (epidemiological, social media, mobility)...
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