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Showing 4441-4460 of 9,097 articles

Data-Driven Symbolic Higher-Order Epistasis Discovery with Kolmogorov-Arnold Networks

Many human diseases are polygenic conditions that arise from a complex interplay of interactions between multiple genes at different loci, but currently most Genome-Wide Association Studies (GWAS) largely only consider the main additive effects of single nucleotide polymorphisms (SNPs), resulting in a missing heritability problem in some complex traits. Identifying non-additive interactions, or ep...

Uncertainty-Aware Deep Learning for Multi-Metric and Dose-Specific Prediction of Drug Synergy

Accurately predicting drug synergy is critical to accelerate the development of combination therapies for cancer and other complex diseases. Yet, the vast combinatorial drug and dose space poses a substantial challenge, even for modern deep learning approaches. Existing approaches often lack generalisability, collapse rich dose–response surfaces into single dose-averaged synergy scores, and fail t...

Machine Learning-Driven Discovery of Synergistic Protein Interactions Identifies ATL3 as a Putative Biomarker for Cancer Drug Response

Resistance to targeted molecular therapies—both primary and acquired—remains a major obstacle to effective cancer treatment. Despite extensive researc...

Diffusion Models vs. DCGANs for Class-Imbalanced Lung Cancer CT Classification: A Comparative Study

Effective lung cancer detection from CT scans remains critically challenged by class imbalance where benign and normal cases are underrepresented, lea...

Deviation Error: assessing predictions for replicate measurements in genomics and beyond

A quantitative measurement can have variation, referred to here as measurement variation, which is a probability distribution. Machine Learning models...

ELITE: E3 Ligase Inference for Tissue specific Elimination: A LLM Based E3 Ligase Prediction System for Precise Targeted Protein Degradation

Targeted protein degradation (TPD) has transformed modern drug discovery by harnessing the ubiquitin–proteasome system to eliminate disease-driving pr...

Deep Learning-Based Drug Repurposing Using Knowledge Graph Embeddings and GraphRAG

Drug repurposing has become a crucial strategy to accelerate drug discovery and reduce development costs. Conventional drug development is time consum...

Asymmetric Cross-Reactivity of Nuclear Receptors Reveals an Evolutionary Buffer Between Estrogen and Androgen Signaling

A comprehensive all-by-all receptor ligand affinity screen using Boltz-2, a deep learning framework for protein-ligand interaction prediction, reveals...

SigSpace: an LLM-based agent for drug response signature interpretation

Agent systems powered by large language models (LLMs) are increasingly applied in computational biology to automate analysis, integrate data, and acce...

A flaw in using pre-trained pLLMs in protein-protein interaction inference models

With the growing pervasiveness of pre-trained protein large language models (pLLMs), pLLM-based methods are increasingly being put forward for the pro...

Bioactivity-Driven Prediction of Antibacterial Synergy Using Machine Learning Models

Predicting antibacterial drug synergy remains difficult due to strain variability and the limited scale of experimentally tested combinations. Existin...

High throughput quantitative tracking of single parasite in Plasmodium falciparum

New systematic profiling of drug effects is in urgent demand due to limitations in existing drug assessment approaches to evaluate comprehensive drug ...

Bento: Benchmarking Classical and AI Docking on Drug Design–Relevant Data

Recent advances in artificial intelligence have introduced deep learning and co-folding approaches for predicting protein-ligand complexes, raising th...

A Mechanism-Aware Dual Attention Deep Model for Molecular-Protein Binding Affinity Prediction with Enhanced Generalizability and Interpretability

Accurate prediction of molecular-protein binding affinity (MPBA) is paramount in drug discovery, yet current computational models often lack generaliz...

A Biologically Grounded Structural Causal Model Enables cfRNA Specific In-Context Learning

Cell-free RNA (cfRNA) in human plasma provides a minimally invasive readout of tissue physiology, yet its extreme sparsity, heavy-tailed abundance dis...

Temporal Perturbation Scanning: AI-Driven Deconstruction of Universal Biomolecular Recognition Mechanisms

Understanding the physicochemical principles governing intermolecular recognition remains a fundamental challenge across biochemistry, drug discovery,...

OMNI: Optimized Multi-view Network Integration with Heterogeneous Graph Attention for Biomedical Interaction Prediction

Accurate prediction of biomedical relationships, such as chemical–gene interactions, is fundamental to understanding disease mechanisms and advancing ...

A Context-Specific, Literature-Supported Framework for Validating Stress Response Models in Mammals

Computational models of stress responses can highlight candidate genes underlying physiological adaptation, but their utility depends on rigorous vali...

Modeling and Design of Multi-layered Cylindrical Microcapsules for Intravitreal Controlled Release

Chronic diseases often require repeated oral or local administration, which can compromise patient compliance. In wet age-related macular degeneration...

Deep Learning–Based Early Detection of Major Adverse Cerebral Injuries in Cardiothoracic and Vascular Surgery

Despite advances in central nervous system (CNS)-protective anesthetic and surgical strategies, perioperative stroke remains a significant concern in ...

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