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FedMediFormer-XAI: Federated Multimodal Transformers with Diffusion Augmentation and Graph-Based Drug Recommendation for Diabetes

Diabetes management faces a number of obstacles, such as fragmented healthcare data, privacy concerns, poor explainability, and the lack of personalized therapeutic guidance. This research work introduces FedMediFormer-XAI, a unified and proper framework that incorporates federated learning, multimodal transformers, diffusion-based data augmentation, Graph Neural Networks (GNNs) for drug recommendation, and Explainable Artificial Intelligence (XAI) for diabetes intelligence. The system utilizes diverse healthcar…

Journal of Visualized Experiments · Health

FedMediFormer-XAI: Federated Multimodal Transformers with Diffusion Augmentation and Graph-Based Drug Recommendation for Diabetes

Evidence-backed problem

Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation

Recent years have witnessed considerable progress in computer-aided drug discovery, driven by the incorporation of computational technologies within both academic and pharmaceutical environments. This evolution is marked by a significant accumulation of data pertaining to detailed three-dimensional structural information, ligand properties, and their interactions with therapeutic targets. The augmentation of computational capabilities and the accessibility of extensive chemical libraries containing billions of d…

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Artificial intelligence-enabled causal estimate of Medicare drug plan integration in cancer care: A doubly robust machine learning instrumental variable analysis

Background Artificial intelligence (AI) methods are increasingly used to strengthen policy evaluation in managed care pharmacy. Among Medicare beneficiaries with cancer, which is one of the most clinically complex and costly populations, prescription drug coverage is obtained through either integrated Medicare Advantage Prescription Drug plans (MA-PDs) or stand-alone Prescription Drug Plans (PDPs). However, causal evidence of plans' impact remains limited because of nonrandom enrollment. Objective To apply an AI…

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A pharmacist-overseen, artificial intelligence-enabled model for provider-side prior authorization: From burden to opportunity (PAVE-1)

Prior authorization (PA) imposes substantial administrative burdens on clinicians, contributing to burnout, delayed care, and excess health care spending. Artificial intelligence (AI) is emerging as a tool to automate PA tasks in managed care pharmacy, yet concerns persist regarding transparency, bias, and overreliance on autonomous systems. This is particularly true in payer-deployed AI systems that may deny claims without adequate clinical review. This viewpoint proposes a pharmacist-overseen, AI-enabled syste…

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Explainable Plasma Proteomics-Based Machine Learning for Osteoporosis Diagnosis, Prognosis, and Protein Biomarker Discovery in the UK Biobank

Osteoporosis (OP) is often underdiagnosed, highlighting the need for tools that can both detect existing disease and predict future risk; large-scale plasma proteomics combined with explainable machine learning enables integrated diagnostic and prognostic modeling while prioritizing clinically relevant protein markers. This study aims to develop and validate an explainable plasma proteomics machine-learning framework for osteoporosis diagnosis, future risk prediction, and biomarker discovery. We further tested w…

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AI-powered medicinal chemistry and translational drug development

Medicinal chemistry sits at the center of modern drug discovery, yet translating molecular designs into approved medicines remains slow, expensive, and prone to high attrition across the pipeline from target identification to clinical validation. Artificial intelligence (AI) is beginning to reshape this landscape by enabling large-scale integration, interpretation, and generation of chemical, biological, and clinical data for hypothesis generation, chemical space exploration, and iterative cycles of model-guided…

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Evidence-backed problem

Artificial intelligence in drug discovery - what it is, where we stand and the path forward

Artificial intelligence (AI) in drug discovery has attracted increasing interest over the past decade. It is now time for a critical review of progress in the field: where did we advance - and where are we yet to see impact - when it comes to what matters in drug discovery, which is to deliver safer and more efficacious medicines to patients faster? Although a wide variety of AI methods have been developed, applied and benchmarked, evidence of their clinically relevant impact is, so far, disappointingly limited.…

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Sixteen AI-designed viruses offer a new route against drug-resistant bacteria

In a world first, scientists led by a team from Stanford University have created 16 viable viruses that do not exist in nature and were designed by AI. Their experiment, which is published in Science, could help in the fight against superbugs by allowing researchers to design customized viruses to kill drug-resistant bacteria. Thomas Inglesby and Moritz S. Hanke have published a Perspective piece on the work and its implications in the same edition of the journal.

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Sixteen AI-designed viruses offer a new route against drug-resistant bacteria

AI-based augmentation of oncology clinical trials

Oncology clinical trials are often characterized by slow accrual, high failure rates and limited generalizability, reflecting both biological complexity and operational inefficiencies. Advances in artificial intelligence (AI) - enabled by large-scale electronic health record datasets and machine learning methods - offer new opportunities to address these challenges across the clinical trial lifecycle. In this Review, we discuss applications of AI across pre-trial design, trial conduct, and post-trial inference a…

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AI-based augmentation of oncology clinical trials

Evaluating Artificial Intelligence Translation Tools for Language Equivalence of Oncology-Informed Consent Forms From English to Spanish

Approximately 8% of the US population speaks primary languages other than English. Limited English proficiency (LEP) contributes to under-representation of Hispanic patients in oncology clinical trials. Although certified translation services exist, they are time-consuming and costly. Artificial intelligence (AI)-generated translations of informed consent forms (ICFs) could provide low-cost alternatives, but data on accuracy and safety remain limited. We evaluated language equivalence of English-to-Spanish trans…

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Evaluating Artificial Intelligence Translation Tools for Language Equivalence of Oncology-Informed Consent Forms From English to Spanish

Innovative approaches to therapeutic target discovery amid the global challenge of antimicrobial resistance

Antimicrobial resistance is a constant threat to global public health, requiring innovative strategies for therapeutic target identification. Hence, this narrative review discusses the application of structural modeling and artificial intelligence in the functional prediction of proteins encoded by multidrug-resistant bacterial genomes. Tools such as AlphaFold and RoseTTAFold have enabled high-accuracy three-dimensional structure prediction, facilitating the annotation of hypothetical proteins and the identifica…

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Innovative approaches to therapeutic target discovery amid the global challenge of antimicrobial resistance

Artificial intelligence and machine learning in pharmaceutical research and healthcare: Ethical challenges and a framework for responsible implementation

Background Artificial intelligence (AI) and machine learning (ML) are transforming pharmaceutical research and healthcare by enabling analysis of large-scale biomedical data and supporting data-driven decision-making. However, their rapid integration has introduced significant ethical, governance, and implementation challenges that remain insufficiently synthesized within a unified framework. Objective This work aims to synthesize the central ethical challenges and paradoxes associated with AI and ML in pharmace…

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Artificial Intelligence in Clinical Medicine: Challenges Across Diagnostic Imaging, Clinical Decision Support, Surgery, Pathology, and Drug Discovery

Aims/Background: The growing integration of artificial intelligence (AI) into clinical medicine has opened new possibilities for enhancing diagnostic accuracy, therapeutic decision-making, and biomedical innovation across several domains. This review is aimed to evaluate the clinical applications of AI across five key domains of medicine: diagnostic imaging, clinical decision support systems (CDSS), surgery, pathology, and drug discovery, highlighting achievements, limitations, and future directions. Methods: A…

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Artificial Intelligence in Clinical Medicine: Challenges Across Diagnostic Imaging, Clinical Decision Support, Surgery, Pathology, and Drug Discovery

AI-enabled drug and molecular discovery: computational methods, platforms, and translational horizons

The integration of artificial intelligence (AI) with bioinformatics has initiated a transformative shift in drug discovery, redefining how pharmaceutical research and development are conducted. This review examines both the current state and emerging prospects of AI-driven strategies across the drug discovery pipeline, from target identification and molecular design to clinical applications. Advances in machine learning, deep learning, graph neural networks, transformers, foundation models, and quantum computing…

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Artificial Intelligence (AI) Applications in Drug Discovery and Drug Delivery: Revolutionizing Personalized Medicine

Artificial intelligence (AI) encompasses a broad spectrum of techniques that have been utilized by pharmaceutical companies for decades, including machine learning, deep learning, and other advanced computational methods. These innovations have unlocked unprecedented opportunities for the acceleration of drug discovery and delivery, the optimization of treatment regimens, and the improvement of patient outcomes. AI is swiftly transforming the pharmaceutical industry, revolutionizing everything from drug developm…

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