Results 221 to 230 of about 446,524 (307)

Novel Roman domination-based graph energies for QSPR analysis of neuroprotective herbal compounds in Alzheimer's disease treatment. [PDF]

Front Chem
Salini Jancy Rani A, Balamurugan BJ.
europepmc   +1 more source

MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
wiley   +1 more source

MOAT: Graph Prompting for 3D Molecular Graphs

Proceedings of the 33rd ACM International Conference on Information and Knowledge Management
Qingqing Long, Yuchen Yan, Wentao Cui, Wei Ju, Zhihong Zhu, Yuanchun Zhou, Xuezhi Wang, Meng Xiao   +7 more
openaire   +1 more source

Unleashing the Power of Machine Learning in Nanomedicine Formulation Development

Advanced Functional Materials, EarlyView.
A random forest machine learning model is able to make predictions on nanoparticle attributes of different nanomedicines (i.e. lipid nanoparticles, liposomes, or PLGA nanoparticles) based on microfluidic formulation parameters. Machine learning models are based on a database of nanoparticle formulations, and models are able to generate unique solutions
Thomas L. Moore, Cristiano Pesce, Antonietta Greco, Claudia Pisante, Greta Avancini, Valentina Di Francesco, Yosi Shamay, Paolo Decuzzi   +7 more
wiley   +1 more source

GNN-MA: Soft Molecular Alignment with Cross-Graph Attention for Ligand-Based Virtual Screening. [PDF]

Molecules
Liu K, Wei D, Shi R, Zhou Z.
europepmc   +1 more source

GraphPath: a graph attention model for molecular stratification with interpretability based on the pathway–pathway interaction network

Teng Ma, Jianxin Wang
openalex   +1 more source

Graph Diffusion Transformers for Multi-Conditional Molecular Generation [PDF]

Gang Liu, Jiaxin Xu, Tengfei Luo, Meng Jiang   +3 more
openalex   +1 more source

An All‐Optical Driven Bio‐Photovoltaic Interface for Active Control of Live Cells

Advanced Functional Materials, EarlyView.
Bio‐photovoltaic Interface (BIO‐PV‐I) for live cell manipulation is presented. BIO‐PV‐I can be activated non‐invasively and remotely to control the spatial motility, adhesion, and morphology of cells adhering to it. BIO‐PV‐I uses a patterned light‐induced electric potential in iron‐doped lithium niobate crystals whose light‐driven and reversible nature,
Lisa Miccio, Martina Mugnano, Valentina Marchesano, Alejandro Calabuig, Zhe Wang, Gennaro Giordano, Francesca Borrelli, Simonetta Grilli, Pietro Ferraro   +8 more
wiley   +1 more source

Beyond Graseq: Enhanced Graph and Sequence Fusion with Contrastive Learning for Molecular Property Prediction

Hui Du, Xi Zhang, Song Ji, Yimeng Zhang, Jacques A. de Guise, Xiaoli Wang   +5 more
openalex   +1 more source

Circular‐Polarization‐Sensitive Organic Photodetectors with a Chiral Nanopatterned Electrode Inverse‐Designed by Genetic Algorithm

Advanced Functional Materials, EarlyView.
A chiral photodetector capable of selectively distinguishing left‐ and right‐handed circularly polarized light is experimentally demonstrated. The device, which features a nanopatterned electrode inverse‐designed by a genetic algorithm within a metal–dielectric–metal nanocavity that incorporates a vacuum‐deposited small‐molecule multilayer, exhibits ...
Kyung Ryoul Park, Jewoong Lee, In‐Suk Choi, Changsoon Kim   +3 more
wiley   +1 more source