Results 171 to 180 of about 110,596 (265)

Machine Learning of Temperature‐Dependent Chemical Kinetics Using Parallel Droplet Microreactors

Advanced Science, EarlyView.
An integrated droplet microfluidics and machine learning framework enables high‐throughput characterization of temperature‐dependent reaction kinetics. Time‐resolved measurements from thousands of droplets train Neural ODE models that accurately predict nonlinear reaction dynamics across diverse thermal environments, bridging large‐scale ...
Mamoru Saita, Yutaka Hori
wiley   +1 more source

Impact of QTL number, heritability and reference population size on the benefit of machine learning models over GBLUP in genomic prediction. [PDF]

Genet Sel Evol
Yang J, Wientjes YCJ, Calus MPL, Duenk P.   +3 more
europepmc   +1 more source

Biochemically Constrained Multi‐Omics Integration Reveals Protein–Metabolite Dependencies Across Diseases

Advanced Science, EarlyView.
ProMetNet introduces a biologically constrained deep learning framework for proteo‐metabolomic integration by embedding Reactome‐derived pathway topology into neural networks. It captures non‐linear molecular dependencies and pathway‐level metabolic reorganization, enabling interpretable discrimination.
Minghui Zhao, Na Zhou, Ruotong Liu, Xiaofei Li, Jian Li, Fuzhong Xue, Qingzhen Hou   +6 more
wiley   +1 more source

Reliable Quantification of Powdered Ginger Adulteration by Vis-NIR Spectroscopy and Chemometrics. [PDF]

Molecules
Amine R, Sánchez PF, Kharkhour H, El-Laghdach A, Palma M, Azaroual L.   +5 more
europepmc   +1 more source

Machine Learning‐Driven Design of Multicomponent Bone Inorganic Matrix Mimicking Scaffolds for Osteogenesis Enhanced by Neurogenesis

Advanced Science, EarlyView.
Schematic illustration of development of experimental datasets and algorithm models, screening and preparation of the scaffolds and their applications in vivo. ABSTRACT Bone defects require materials with osteogenic, neurogenic, and angiogenic activity, yet designing such materials within high‐dimensional compositional spaces remains challenging. Here,
Kunlu Lin, Ying Yang, Chuyao Zhou, Hanyue Mao, Zhiquan Zhang, Libangxi Liu, Xiaoying Yu, Haoming Liu, Long Liu, Xiaoyan Wang   +9 more
wiley   +1 more source

GDA-Pred: Generative AI-Driven Data Augmentation for Improved Prediction of IL-6 and IL-13-Inducing Peptides. [PDF]

Int J Mol Sci
Kurata H, Tsuruta H, Shigetomi S, Harun-Or-Roshid M, Maeda K.   +4 more
europepmc   +1 more source

Neuromorphic Devices and Computing for Sensing, Memory, and Control

Advanced Science, EarlyView.
This review introduces neuromorphic devices made from diverse materials. These devices mimic neuronal functions and architectures and, when integrated with artificial or biological computing, can form closed loops with neurons for pressure, optical, acoustic, and biochemical sensing and modulation.
Zhengguang Zhu, Nicholas Schaffer, Xiao Yang   +2 more
wiley   +1 more source

Efficient visualization of chemical space. [PDF]

Chem Sci
Surendran A, Zsigmond K, Chen L, Miranda-Quintana RA.   +3 more
europepmc   +1 more source

Computationally Evidence‐Grounded Sequence‐First Design of Peptide Binders

Advanced Science, EarlyView.
BOND‐PEP enables controllable, sequence‐first peptide binder design by grounding generation in binding evidence retrieved for each target. It uses topology‐conditioned message passing to integrate relevant peptide examples with the target protein sequence, forming a residue‐level representation that guides the generation of diverse, target‐specific ...
Wenze Ding
wiley   +1 more source

Modeling and optimization of hydrogenation for crude oil by estimating hydrogen solubility in the solvent at different temperatures. [PDF]

Front Chem
Zhao Z.
europepmc   +1 more source