Results 221 to 230 of about 665,590 (295)

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

Advanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary, Nicholas Ballard   +1 more
wiley   +1 more source

LBD-PointNet++: a point cloud segmentation network for phenotypic trait extraction of broccoli seedlings. [PDF]

Front Plant Sci
Wang H, Yin B, Liu S, Xia Y, Zhang Z, Wu H, Fu X.   +6 more
europepmc   +1 more source

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

Uniform in Bandwidth Consistency of the <i>L</i>¹-Modal Regression Estimator for High-Dimensional Data. [PDF]

Entropy (Basel)
Almulhim FA, Alamari MB, Laksaci A.
europepmc   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Practical Considerations for Gaussian Process Modeling for Causal Inference in Quasi-Experimental Studies With Panel Data. [PDF]

Stat Med
Vega SL, Nethery RC.
europepmc   +1 more source

Spatially Informed Feature Selection and Machine Learning in Matrix‐Assisted Laser Desorption/Ionization Imaging for Cohort‐Scale Molecular Tissue Phenomics in Glioblastoma

Advanced Intelligent Discovery, EarlyView.
Matrix‐assisted laser desorption/ionization imaging‐based identification of reliable small molecule markers across heterogeneous glioblastoma cohorts is challenging with intensity‐only methods. We present spatially informed feature selection (SIFS), a spatially informed framework that prioritizes molecules consistently colocalizing with histopathology.
Shad A. Mohammed, Denis Abu Sammour, Dirk C. Hoffmann, Philipp Sievers, Tobias Bausbacher, Melissa Hahn, Yasemin Ucal, Iris Mildenberger, Christiane A. Opitz, Stefan Schmidt, Michael Platten, Oliver Wasenmüller, Wolfgang Wick, Andreas von Deimling, Tobias Kessler, Carsten Hopf   +15 more
wiley   +1 more source

A Bayesian Framework with Dirichlet Priors and Spatial Smoothing for Protein Rotamer Prediction. [PDF]

Int J Mol Sci
Al Nasr K, Jad Allah A, Alamri M, Al Sallal M.   +3 more
europepmc   +1 more source

Data‐Efficient Cycle‐Level Capacity Prediction Using 1D Deep Convolutional Network

Advanced Intelligent Discovery, EarlyView.
We introduce DeepBat, a deep learning framework featuring a 1D convolutional backbone designed to extract latent degradation patterns from a microstructurally diverse electrode dataset. By learning complex formulation–performance relationships, the model accurately predicts long‐term specific discharge capacity using limited early‐cycle data, providing
Tao Huang, Bing Sun, Zhigang Chen, Chenyu Zhao, Eugene Bakker, Yaojie Lei, Lingfei Zhao, Shijian Wang, Chao Liu, Virginia Xiaojun He, Bahram Shirzadi, Hao Liu, Xin Xi, Ruiliu Liu, Dongqing Wu, Guodong Long, Guoxiu Wang   +16 more
wiley   +1 more source

Estimating Dispersal Kernels for Stream Periphyton Using Drifting Lake Algae. [PDF]

Ecol Evol
Zamorano D, Meier CI, Davies TM, Ingram T, Romero U, Matthaei CD.   +5 more
europepmc   +1 more source