Results 161 to 170 of about 5,191 (242)
AIChE Journal, EarlyView.Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim +2 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Exosomes are emerging as powerful biomarkers for disease diagnosis and monitoring. This review highlights the integration of surface‐enhanced Raman spectroscopy with artificial intelligence to enhance molecular fingerprinting of exosomes. Machine learning and deep learning techniques improve spectral interpretation, enabling accurate classification of ...
Munevver Akdeniz +2 more
wiley +1 more source
Role of Starch Type in Gel-like Network Formation of Extruded Meat Analogs. [PDF]
GelsKang C, Han A, Gu BJ.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.A novel convolutional neural network architecture enables rapid, unsupervised analysis of IR spectroscopic data from DRIFTS and IRRAS. By combining synthetic data generation with parallel convolutional layers and advanced regularization, the model accurately resolves spectral features of adsorbed CO, offering real‐time insights into ceria surface ...
Mehrdad Jalali +5 more
wiley +1 more source
Carbohydrate-Protein Hydrogels as Fat Replacers: Design Criteria and Benchmarking Against Full-Fat Systems. [PDF]
Compr Rev Food Sci Food SafAmiri A +4 more
europepmc +1 more source
Deep Learning‐Assisted Coherent Raman Scattering Microscopy
Advanced Intelligent Discovery, EarlyView.The analytical capabilities of coherent Raman scattering microscopy are augmented through deep learning integration. This synergistic paradigm improves fundamental performance via denoising, deconvolution, and hyperspectral unmixing. Concurrently, it enhances downstream image analysis including subcellular localization, virtual staining, and clinical ...
Jianlin Liu +4 more
wiley +1 more source
Fermentation Effect on Volatile Evolution of Plant-Based Dry-Cured Sausages. [PDF]
FoodsMartín-Miguélez JM +3 more
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.Memristors based on trimethylsulfonium (phenanthroline)tetraiodobismuthate have been utilised as a nonlinear node in a delayed feedback reservoir. This system allowed an efficient classification of acoustic signals, namely differentiation of vocalisation of the brushtail possum (Trichosurus vulpecula).
Ewelina Cechosz +4 more
wiley +1 more source
Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook
Advanced Intelligent Discovery, EarlyView.Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang +4 more
wiley +1 more source