Journal of chemical information and modeling
Feb 24, 2025
Natural Language Processing (NLP) has revolutionized the way computers are used to study and interact with human languages and is increasingly influential in the study of protein and ligand binding, which is critical for drug discovery and developmen...
Journal of chemical information and modeling
Feb 24, 2025
Optimizing techniques for discovering molecular structures with desired properties is crucial in artificial intelligence (AI)-based drug discovery. Combining deep generative models with reinforcement learning has emerged as an effective strategy for ...
Due to the diversity of catalyst synthesis methods, the optimization of catalysts by traditional experimental methods have brought greater challenges. This study presents a new strategy for determining catalyst performance by substituting causal infe...
Optometry and vision science : official publication of the American Academy of Optometry
Feb 24, 2025
SIGNIFICANCE: Machine learning random forest algorithms were used to predict objective refractive outcomes after cycloplegic refraction using noncycloplegic clinical data. A classification model predicted post-cycloplegic myopia and could be useful i...
Interferon (IFN) is a pivotal agent against hepatitis B virus (HBV) in clinic, but there is a lack of accurate biomarkers to predict the response to IFN therapy in patients with chronic hepatitis B (CHB). Our study aimed to investigate potential targ...
International journal of molecular sciences
Feb 24, 2025
Diabetes-related cognitive impairment (DCI) is a severe complication of type 2 diabetes mellitus (T2DM), with limited understanding of its molecular mechanisms hindering effective therapeutic development. This study identified SERPINA3 as a potential...
BACKGROUND: An ideal lung allocation system should reduce waiting list deaths, improve transplant survival, and ensure equitable organ allocation. This study aimed to develop a novel lung allocation score (LAS) system, the MaxBenefit LAS, to maximize...
BMC medical informatics and decision making
Feb 24, 2025
BACKGROUND: Staphylococcus aureus bacteremia (SAB) remains a significant contributor to both community-acquired and healthcare-associated bloodstream infections. SAB exhibits a high recurrence rate and mortality rate, leading to numerous clinical tre...
BMC medical informatics and decision making
Feb 24, 2025
BACKGROUND: The principles of urgency, utility, and benefit are fundamental concepts guiding the ethical and practical decision-making process for organ allocation; however, LT allocation still follows an urgency model.
In response to the increasing concern over antibiotic resistance and the limitations of traditional methods in antibiotic discovery, we introduce a machine learning-based method named MFAGCN. This method predicts the antimicrobial efficacy of molecul...
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