Results 111 to 120 of about 589,086 (216)

opXRD: Open Experimental Powder X‐Ray Diffraction Database

Advanced Intelligent Discovery, EarlyView.
We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek, Henrik Schopmans, Jona Östreicher, Jonas Teufel, Bin Cao, Adie Alwen, Simon Schweidler, Mriganka Singh, Tim Kodalle, Hanlin Hu, Gregoire Heymans, Maged Abdelsamie, Arthur Hardiagon, Alexander Wieczorek, Siarhei Zhuk, Ruth Schwaiger, Sebastian Siol, François‐Xavier Coudert, Moritz Wolf, Carolin M. Sutter‐Fella, Ben Breitung, Andrea M. Hodge, Tong‐yi Zhang, Pascal Friederich   +23 more
wiley   +1 more source

Moldina: a fast and accurate search algorithm for simultaneous docking of multiple ligands. [PDF]

J Cheminform
Halfar R, Damborský J, Marques SM, Martinovič J.   +3 more
europepmc   +1 more source

Applied Artificial Intelligence in Materials Science and Material Design

Advanced Intelligent Systems, EarlyView.
AI‐driven methods are transforming materials science by accelerating material discovery, design, and analysis, leveraging large datasets to enhance predictive modeling and streamline experimental techniques. This review highlights advancements in AI applications across spectroscopy, microscopy, and molecular design, enabling efficient material ...
Emigdio Chávez‐Angel, Martin Børstad Eriksen, Alejandro Castro‐Alvarez, Jose H. Garcia, Marc Botifoll, Oscar Avalos‐Ovando, Jordi Arbiol, Aitor Mugarza   +7 more
wiley   +1 more source

Addressing standardization and semantics in an electronic lab notebook for multidisciplinary use: LabIMotion. [PDF]

J Cheminform
Lin CL, Huang PC, Wöll C, Théato P, Kübel C, Pilz L, Jung N, Bräse S.   +7 more
europepmc   +1 more source

Hardware‐Software Codesign of 2D Neuromorphic Optoelectronic Device for Dynamic Gesture Recognition

Advanced Intelligent Systems, EarlyView.
Dynamic gesture recognition based on an in‐sensor reservoir and its synaptic behaviors. Dynamic image recognition with in‐sensor function is achieved, leveraging the capabilities of in‐sensor reservoir computing. Such a computing architecture integrates the sensory capabilities of the retina with the computational advantages of the brain, forming an ...
Jiarui Wang, Yinan Lin, Junqi You, Tianze Yu, Weifan Meng, Linfeng Sun   +5 more
wiley   +1 more source

Lewis Acidity of the SbCl3/o‐chloranil System

Angewandte Chemie, EarlyView.
An SbCl5 surrogate from easy‐to‐handle reagents! The putative SbCl3(o‐C6O2Cl4) synthon is calculated to be more Lewis acidic than SbCl5. Even if endergonic, its formation from SbCl3 and o‐chloranil can be driven by Lewis base coordination, leading to the corresponding adducts.
Ferit Şit, Nathanael H. Hunter, Logan T. Maltz, François P. Gabbaï   +3 more
wiley   +2 more sources

Quantum-inspired logic for advanced Transcriptional Programming. [PDF]

Nucleic Acids Res
Milner PT, Kim D, Wilson CJ.
europepmc   +1 more source

In‐Sensor Reservoir Computing Using Ferroelectric Optoelectronic Synapse for Near‐Infrared Face Recognition

Advanced Intelligent Systems, EarlyView.
Near‐infrared reservoir computing system has been realized by using α‐In2Se3 optoelectronic device with concise device and algorithm architecture, achieving high accuracy near 100% and noise robustness in face recognition tasks. These findings demonstrate 2D ferroelectric device‐based optoelectronic RC system as a compact and efficient computing ...
Wenyu Songlu, Quan Chen, Yi Cao, Han Wang, Han Chen, Weihui Sang, Yang Gan, Shijia Tian, Yuan Yu, Zhou Xin, Yukang Chen, Shuming Guo, Lin Wang, Xumeng Zhang, Tao Liu, Du Xiang   +15 more
wiley   +1 more source

Deep Supramolecular Language Processing for Co‐Crystal Prediction

Angewandte Chemie, EarlyView.
DeepCocrystal is a deep learning model that predicts co‐crystal formation by learning supramolecular interactions from molecular string representations. It achieves high accuracy, estimates uncertainty, and offers interpretable insights into its predictions. Validated prospectively, DeepCocrystal discovered novel diflunisal co‐crystals and is available
Rebecca Birolo, Rıza Özçelik, Andrea Aramini, Roberto Gobetto, Michele R. Chierotti, Francesca Grisoni   +5 more
wiley   +2 more sources

Image-based quantification of Candida albicans filamentation and hyphal length using the open-source visual programming language JIPipe. [PDF]

FEMS Yeast Res
Praetorius JP, Hitzler SUJ, Gresnigt MS, Figge MT.   +3 more
europepmc   +1 more source