Results 111 to 120 of about 38,464 (255)

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

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

Advanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang, Abudukadi Tudi, Ran An, Zhihua Yang   +3 more
wiley   +1 more source

Using machine learning algorithms to predict risk factors of heart failure after complete mesocolic excision in colorectal cancer patients

Scientific Reports
Following complete mesocolic excision (CME), heart failure (HF) emerges as a significant complication, exerting substantial impacts on both short-term and long-term patient prognoses.
Yuan Liu, Yuankun Liu, Yu Zhang, Pengpeng Zhang, Jiaheng Xie, Ning Zhao, Yi Xie, Chao Cheng, Songyun Zhao   +8 more
doaj   +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

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

Survival Prediction Model for Patients with Hepatocellular Carcinoma and Extrahepatic Metastasis Based on XGBoost Algorithm. [PDF]

J Hepatocell Carcinoma, 2023
Lim J, Jeon HG, Seo Y, Kim M, Moon JU, Cho SH.   +5 more
europepmc   +1 more source

From Data to Discovery: Machine Learning–Enabled Intelligent Characterization of Two‐Dimensional Materials

Advanced Intelligent Discovery, EarlyView.
Machine learning serves as a central engine for the intelligent characterization of two‐dimensional materials by integrating multimodal techniques, including optical microscopy, spectroscopy, electron microscopy, and scanning probe microscopy (SPM). This unified framework enables automated, high‐throughput, and quantitative extraction of structural ...
Zhi‐Long Cao, Jia‐Xu Yan
wiley   +1 more source

Retracted: Prediction and Analysis of Length of Stay Based on Nonlinear Weighted XGBoost Algorithm in Hospital. [PDF]

J Healthc Eng, 2023
Healthcare Engineering JO.
europepmc   +1 more source

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

Advanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

Multicenter Validation of Machine Learning Models for Predicting Myopia Progression Across School‐Based Screening and Optical Intervention Settings in Chinese Children and Adolescents

Advanced Intelligent Discovery, EarlyView.
Machine‐learning models predict myopia trajectories from 12 routine ocular variables in 40 445 children across 10 hospitals. Externally validated across school‐based screening and optical‐intervention settings, the best models achieve AUROC 0.97 for myopia status and R2 0.83 for spherical equivalent, enabling personalized risk stratification to curb ...
Yitong Zhang, Mingxuan Liu, Yifei Chen, Ying Wu, Lijun Zhang, Mengyao Guo, Yulan Yan, Runmei Wei, Zihan Cui, Peng Luo, Fang Chen, Bo Yang, Youcang Han, Xiaoyang Liu, Qiyuan Tian   +14 more
wiley   +1 more source