Results 191 to 200 of about 126,625 (241)

SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory. [PDF]

Sci Data
Korn M, Judson P, Klein R, Lemmen C, Nicklaus MC, Rarey M.   +5 more
europepmc   +1 more source

Revealing Protein–Protein Interactions Using a Graph Theory‐Augmented Deep Learning Approach

Advanced Intelligent Discovery, EarlyView.
This study presents a fast, cost‐efficient approach for classifying protein–protein interactions by integrating graph‐theory parametrization with deep learning (DL). Multiscale features extracted from graph‐encoded polarized‐light microscopy (PLM) images enable accurate prediction of binding strengths.
Bahar Dadfar, Gözde Kabay, Matthias Franzreb, Kody Whisnant, Nicholas A. Kotov, Joerg Lahann   +5 more
wiley   +1 more source

Structural Exploration and Expected values of Topological Indices of Square-Hexagonal <i>T</i> _2,3 Kink Chains for Advanced Engineering Applications. [PDF]

ACS Omega
Kanwal S, Khalil M, Razzaque A.
europepmc   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

MLGT: A multimodal graph attention network for virtual screening of anti-Uveitis drugs. [PDF]

PLoS One
Sun Y, Qin Y, Chen W.
europepmc   +1 more source

AI‐Guided Co‐Optimization of Advanced Field‐Effect Transistors: Bridging Material, Device, and Fabrication Design

Advanced Intelligent Discovery, EarlyView.
This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath, Shauryaraj K. Jilkar, Aditya Udgaonkar, Yu (Joe) Lu, Ali Mesbah   +4 more
wiley   +1 more source

Roadmap on Artificial Intelligence‐Augmented Additive Manufacturing

Advanced Intelligent Systems, EarlyView.
This Roadmap outlines the transformative role of artificial intelligence‐augmented additive manufacturing, highlighting advances in design, monitoring, and product development. By integrating tools such as generative design, computer vision, digital twins, and closed‐loop control, it presents pathways toward smart, scalable, and autonomous additive ...
Ali Zolfagharian, Liuchao Jin, Qi Ge, Wei‐Hsin Liao, Andrés Díaz Lantada, Francisco Franco Martínez, Tianyu Zhang, Tao Liu, Charlie C. L. Wang, Mohammad Hossein Mosallanejad, Reza Ghanavati, Abdollah Saboori, Alejandro De Blas De Miguel, William Solórzano‐Requejo, Yi Cai, Xiangyang Dong, Huangyi Qu, Najmeh Samadiani, Guangyan Huang, Austin Downey, Yanzhou Fu, Lang Yuan, Tsz‐Kwan (Glory) Lee, Arbind Agrahari Baniya, Eisha Waseem, Abdul Rahman Sani, Abbas Z. Kouzani, Yijia Wu, Markus P. Nemitz, Masoud Shirzad, Dageon Oh, Seung Yun Nam, Amedeo Franco Bonatti, Irene Chiesa, Gabriele Maria Fortunato, Giovanni Vozzi, Carmelo De Maria, Mahdi Bodaghi   +37 more
wiley   +1 more source

Enhancing energy predictions in multi-atom systems with multiscale topological learning.

J Mater Chem A Mater
Chen D, Wang R, Wei GW, Pan F.
europepmc   +1 more source

Geometry and quantum brachistochrone analysis of multiple entangled spin-1/2 particles under all-range Ising interaction. [PDF]

Sci Rep
Amghar B, Yachi M, Amghar M, Almousa M, El-Latif AAA, Slaoui A.   +5 more
europepmc   +1 more source

Brain's geometries for movements and beauty judgments. A contribution of topos geometries. [PDF]

Front Psychol
Bennequin D, Berthoz A.
europepmc   +1 more source