Results 231 to 240 of about 119,353 (308)

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

The ROBOKOP v1.0 knowledge graph system for exploring relationships between biomedical entities. [PDF]

Sci Rep
Fecho K, Morris E, Beasley JM, Carter EK, Chung CH, Edwards S, Glymph D, Korn D, Olasunkanmi O, Pasfield C, Ramon M, Richardson J, Tucker N, Williams D, Zheng W, Tropsha A, Bizon C.   +16 more
europepmc   +1 more source

AI‐Driven Cancer Multi‐Omics: A Review From the Data Pipeline Perspective

Advanced Intelligent Discovery, EarlyView.
The exponential growth of cancer multi‐omics data brings opportunities and challenges for precision oncology. This review systematically examines AI's role in addressing these challenges, covering generative models, integration architectures, Explainable AI for clinical trust, clinical applications, and key directions for clinical translation.
Shilong Liu, Shunxiang Li, Kun Qian
wiley   +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

Mining triggers extensive additional deforestation in sub-Saharan Africa. [PDF]

Nature
Morton O, Bousfield CG, Dégny Valé P, Lamb I, Maus V, Bryant RG, Edwards DP.   +6 more
europepmc   +1 more source

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

The radiological impacts of radioactivity in the Crown Mines gold tailings. [PDF]

Sci Rep
Mvelase MJ, Ntshangase SS, Kheswa BV, Majola SNT, Maleka PP.   +4 more
europepmc   +1 more source

Uncertainty‐Guided Selective Adaptation Enables Cross‐Platform Predictive Fluorescence Microscopy

Advanced Intelligent Discovery, EarlyView.
Deep learning models often fail when transferred to new microscopes. A novel framework overcomes this by selectively adapting the early layers governing low‐level image statistics, while freezing deep layers that encode morphology. This uncertainty‐guided approach enables robust, label‐free virtual staining across diverse systems, democratizing ...
Kai‐Wen K. Yang, Andrew Bai, Alexandra Bermudez, Yunqi Hong, Zoe Latham, Iris Sloan, Michael Liu, Vishrut Goyal, Cho‐Jui Hsieh, Neil Y. C. Lin   +9 more
wiley   +1 more source

Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics

Advanced Intelligent Discovery, EarlyView.
A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha, Jesus Gil, Pedro J. Ballester   +2 more
wiley   +1 more source

Mining corridors as emergence interfaces: an evidence-informed one health operational framework for prevention of infectious disease outbreaks in Kédougou, Senegal. [PDF]

Front Public Health
Sow B, Sadio BD, Diarra M, Gaye A, Ndione MHD, Diallo D, Moukaha Doukanda SF, Sankhe S, Faye O, Dia N, Talla C, Faye O, Loucoubar C, Fall G, Diallo B, Sow A, Fall IS, Diallo M, Barry MA, Diagne MM.   +19 more
europepmc   +1 more source