Results 171 to 180 of about 82,891 (271)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Traceability of Agri‐Food Products: The Key to Conscious Trade

Agribusiness, EarlyView.
ABSTRACT Globalization and growing concerns about sustainability have led to improvements in product traceability, quality, and sustainability. Traceability contributes to environmental protection and supports sustainable development by fostering transparency in agricultural practices and encouraging the responsible use of resources.
Scarlett Queen Almeida Bispo, Fernanda Aparecida Silva, Michelle Márcia Viana Martins, Marcelo José Braga Nonnenberg, Ruan da Silva Vianna, Carla Cristina Passos Cruz   +5 more
wiley   +1 more source

MolToxPred: small molecule toxicity prediction using machine learning approach. [PDF]

RSC Adv
Setiya A, Jani V, Sonavane U, Joshi R.
europepmc   +1 more source

Data-driven identification of structural alerts for mitigating the risk of drug-induced human liver injuries. [PDF]

J Cheminform, 2015
Liu R, Yu X, Wallqvist A.
europepmc   +1 more source

Assessing the Impact of Promotions on Consumer Purchasing Behavior During Crises

Agribusiness, EarlyView.
ABSTRACT Understanding how households modify their food expenditure decisions during times of crisis is essential because consumer purchasing behavior frequently changes during these times. This study looks at these behavioral shifts during the COVID‐19 pandemic, concentrating on how price sensitivity and response to sales promotions changed over the ...
Wafa Mehaba, José María Gil
wiley   +1 more source

AI in chemical engineering: From promise to practice

AIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

Smart Flexible Tactile Sensors: Recent Progress in Device Designs, Intelligent Algorithms, and Multidisciplinary Applications

Advanced Intelligent Discovery, EarlyView.
Flexible tactile sensors have considerable potential for broad application in healthcare monitoring, human–machine interfaces, and bioinspired robotics. This review explores recent progress in device design, performance optimization, and intelligent applications. It highlights how AI algorithms enhance environmental adaptability and perception accuracy
Siyuan Wang, Ming Dong, Rongrong Bao, Caofeng Pan   +3 more
wiley   +1 more source

Kiyoshi Nagai (1949-2019).

, 2020
Lührmann, R.
core   +1 more source

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

Advanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan, Ankeer Abuduhebaier, Haojin Zhou, Jiaqi Wang   +3 more
wiley   +1 more source

Reducing Domestic Wood Burning through Voluntary Air Quality Alerts: An IBM-WASH Evaluation of a Pilot Intervention in Wales. [PDF]

Environ Manage
Heydon J, Price M, Walker I, Lewis P, Chakraborty R, Bunce C, Sunter K.   +6 more
europepmc   +1 more source