Results 191 to 200 of about 51,348 (268)

PancDS in Real‐World Practice: A Prospective Multicenter Validation of a Clinical Decision‐Support System Bridging Experience Gaps in Pancreatic Lesion Diagnosis

open access: yesAdvanced Science, EarlyView.
A biomimetic artificial intelligence system, PancDS, has been developed to distinguish pancreatic ductal adenocarcinoma from mass‐forming pancreatitis by adaptively integrating clinical data, radiomics, and deep learning features. Validated across multicenter, reader‐study, and prospective settings, PancDS improves diagnostic accuracy, particularly for
Zhibo Wang   +13 more
wiley   +1 more source

Multiscale analysis of Rb<sub>2</sub>NaInI<sub>6</sub>: from electronic structure to device performance for next-generation perovskite solar cells. [PDF]

open access: yesRSC Adv
Mahedi AH   +8 more
europepmc   +1 more source

Impurity Tolerance in LiFePO4 Cathodes: Contrasting Structural, Electronic, and Electrochemical Roles of Residual Ni and Cr

open access: yesAdvanced Science, EarlyView.
Impurity tolerance in LiFePO4 cathodes varies strongly with impurity type and content. Low Ni levels are accommodated within the lattice with minimal structural disruption, whereas higher Ni contents introduce antisite disorder. In contrast, Cr impurities segregate from the LiFePO4 framework, blocking lithium‐ion pathways and leading to inferior ...
Minjin Kim   +3 more
wiley   +1 more source

Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction

open access: yesAdvanced Science, EarlyView.
We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen   +3 more
wiley   +1 more source

Deconstructing Intratumoral Heterogeneity through Multiomic and Multiscale Analysis of Serial Sections. [PDF]

open access: yesCancers (Basel)
Schupp PG   +15 more
europepmc   +1 more source

De Novo Design of Membrane‐Targeting Antimicrobial Peptides Against Gram‐Negative Bacteria Using a Generative Artificial Intelligence Framework

open access: yesAdvanced Science, EarlyView.
Antimicrobial resistance caused by Gram‐negative bacteria remains difficult to overcome due to the protective outer membrane. To address this challenge, a multi‐condition constrained generative AI framework, GenMTAMP is proposed for de novo membrane‐targeting antimicrobial peptide design by integrating physicochemical and spatial structure descriptors.
Jingxiao Yu   +5 more
wiley   +1 more source

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

open access: yesAdvanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou   +8 more
wiley   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

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