Results 211 to 220 of about 631,800 (281)

Molecular graph-based invariant representation learning with environmental inference and subgraph generation for out-of-distribution generalization. [PDF]

J Cheminform
Zhu H, Yuan S, Tang M, Zhou G, Hu Z, Liu Z, Li J, Wang J, Li C.   +8 more
europepmc   +1 more source

Graph Kernels for Molecular and Reduced Graphs

Demco, Anthony, Saunders, Craig
core  

High‐Spatiotemporal‐Resolution Transparent Thermoelectric Temperature Sensor Arrays Reveal Temperature‐Dependent Windows for Reversible Photothermal Neuromodulation

Advanced Functional Materials, EarlyView.
Thermoelectric temperature sensors are developed that directly measure heat changes during optical‐based neural stimulation with millisecond precision. The sensors reveal the temperature windows for safe reversible neural modulation: 1.4–4.5 °C enables reversible neural inhibition, while temperatures above 6.1 °C cause permanent thermal damage.
Junhee Lee, Dongjo Yoon, Jungha Lee, Duhee Kim, Eunui Kim, Jong‐Hyeok Yoon, Hyuk‐Jun Kwon, Seungjun Chung, Yoonkey Nam, Hongki Kang   +9 more
wiley   +1 more source

DDI-AttendNet: cross attention with structured graph learning for inter-drug connectivity analysis. [PDF]

Front Pharmacol
Wang J, Du H, Li Y.
europepmc   +1 more source

Two‐Dimensional Materials as a Multiproperty Sensing Platform

Advanced Functional Materials, EarlyView.
Various sensing modalities enabled and/or enhanced by two‐dimensional (2D) materials are reviewed. The domains considered for sensing include: 1) optoelectronics, 2) quantum defects, 3) scanning probe microscopy, 4) nanomechanics, and 5) bio‐ and chemosensing.
Dipankar Jana, Shubhrasish Mukherjee, Dmitrii Litvinov, Magdalena Grzeszczyk, Sergey Grebenchuk, Makars Šiškins, Virgil Gavriliuc, Yihang Ouyang, Changyi Chen, Yuxuan Ye, Meng Yiming, Maciej Koperski   +11 more
wiley   +1 more source

Machine learning for drug-target interaction prediction: A comprehensive review of models, challenges, and computational strategies. [PDF]

Comput Struct Biotechnol J
Ahmad B, Ouahada K, Hamam H.
europepmc   +1 more source

Programmable DNA‐Peptide Hybrid Nanostructures for Potent Neutralization of Multiple Influenza a Virus Subtypes

Advanced Functional Materials, EarlyView.
A multivalent antiviral platform based on honeycomb‐shaped DNA nanostructures (HC–Urumin) is developed to enhance the potency and breadth of the host defense peptide Urumin. Through spatially patterned trimeric presentation, HC–Urumin disrupts influenza A virus entry, improves cell viability, and reduces disease severity in vivo‐offering a modular and ...
Saurabh Umrao, Abhisek Dwivedy, Payton L. Haak, Dhanush Gandavadi, Laurie A. Rund, Chi Chen, Vineetha Mareddy, Lifeng Zhou, Jinwei Duan, Ying Fang, Andrew J. Steelman, Xing Wang   +11 more
wiley   +1 more source

ProtoMol: enhancing molecular property prediction via prototype-guided multimodal learning. [PDF]

Brief Bioinform
Wang Y, Zhang K, Huang J, Yin N, Liu S, Segal E.   +5 more
europepmc   +1 more source

Unveiling Aggregation‐Induced Singlet Fission in Push–Pull Diketopyrrolopyrrole Water Dispersed Nanoaggregates and Thin Films

Advanced Functional Materials, EarlyView.
Aggregates of diketopyrrolopyrrole dipolar and quadrupolar systems exhibit panchromatic absorption spectra extending in the entire visible range. Upon aggregation in water and in the solid state, their fluorescence is almost completely quenched and their singlet excited state lifetime is significantly shortened.
Roberto Cantoni, Martina Alebardi, Eliana Maria D'Amato, Charu Popli, Yuvraj Patil, Pietro Mancini, Alessandro Di Michele, Anna Spalletti, Rajneesh Misra, Theodore Goodson, Benedetta Carlotti   +10 more
wiley   +1 more source

PathCLAST: pathway-augmented contrastive learning with attention for interpretable spatial transcriptomics. [PDF]

Brief Bioinform
Noh M, Lee S, Kim S, Lim S.
europepmc   +1 more source