Results 211 to 220 of about 2,019,981 (302)

Disentangling Heterogeneous Molecular Networks for Multi‐Omics‐Driven Cancer Driver Discovery

open access: yesAdvanced Science, EarlyView.
DRIVE integrates PPI topology and pan‐cancer multi‐omics profiles through dual‐view graph disentanglement, contrastive representation learning, and joint optimization. Across six PPI networks, DRIVE outperforms ten baselines and remains robust to structural and annotation perturbations.
Xinjing Gong   +8 more
wiley   +1 more source

qcGEM: A Graph‐Based Molecular Representation With Quantum Chemistry Awareness

open access: yesAdvanced Science, EarlyView.
In this work, we introduce qcGEM, a quantum‐chemistry‐aware graph‐based embedding of molecules that incorporates physical priors into molecular representation learning. Through a specially designed model architecture to adequately process quantum chemistry information as well as three‐dimensional molecular geometry, qcGEM provides a compact, physics ...
Haoyu Wang   +3 more
wiley   +1 more source

PrOMet: Accurate and Robust Metal‐Binding Site and Type Prediction

open access: yesAdvanced Science, EarlyView.
PrOMet is a two‐stage deep learning framework for jointly predicting metal‐binding sites and ion identities from protein structures. Surface candidate sites are first pruned, followed by refinement of the most probable sites and metal types. This hierarchical strategy enables robust and accurate metal prediction for cryo‐EM and AlphaFold‐derived ...
Gangeun Park, Chaok Seok, Hahnbeom Park
wiley   +1 more source

Q‐LEAP: Millisecond Hyperdimensional Optimization for Full‐Spectrum Optical Metamaterials

open access: yesAdvanced Science, EarlyView.
Q‐LEAP integrates physics‐informed residual machine learning with factorization‐machine‐encoded quantum annealing to design full‐spectrum optical metamaterials. It explores a 2108 design space and, in a single 2.56 ms annealing step, reaches 85.83% of the theoretical FoM limit, enabling selective 5‐8 µm emission with 3–5 and 8–14 µm suppression and ∼40×
Zikang Guo   +3 more
wiley   +1 more source

Transformer‐Based PET/CT Fusion Enables Preoperative Prediction and Prognostic Stratification of Spread Through Air Spaces in Lung Adenocarcinoma

open access: yesAdvanced Science, EarlyView.
An eight‐stream 2.5D Transformer integrates complementary PET metabolic and CT morphologic information to estimate spread‐through‐air‐spaces risk before surgery in lung adenocarcinoma. The model generalizes across independent centers, while its continuous risk score independently stratifies progression‐free survival, supporting further prospective ...
Xin‐Yu Zhu   +7 more
wiley   +1 more source

An Integrated Artificial Intelligence Framework for Nanomedicine Engineering

open access: yesAdvanced Science, EarlyView.
This review outlines a closed‐loop AI ecosystem for nanomedicine engineering. By synergizing multimodal data harmonization, objective‐driven AI architectures, and automated high‐throughput validation, this “Design‐Make‐Test‐Analyze” (DMTA) workflow transforms traditional heuristic formulation into a predictive, self‐optimizing paradigm, accelerating ...
Meichen Dong   +10 more
wiley   +1 more source

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