Chemistry | Energy Materials | Materials Science Deep learning for the automation of particle analysis in catalyst layers for polymer electrolyte fuel cells. November 30, 2021
Artificial Intelligence | Chemistry | Materials Science Toward autonomous design and synthesis of novel inorganic materials. November 30, 2021
Artificial Intelligence | Chemistry | Fuel Science Machine learning and deep learning enabled fuel sooting tendency prediction from molecular structure. November 27, 2021
Chemistry | Materials Science | Physics Predicting energy and stability of known and hypothetical crystals using graph neural network. November 25, 2021
Artificial Intelligence | Chemistry | Pharmacology Deep learning approaches for de novo drug design: An overview. November 25, 2021
Chemistry | Materials Science Quantitative Correlation of Droplets on Galvanic-Coupled Arrays with Response Current by Image Processing. November 22, 2021
Catalysis | Chemistry | Materials Science Interpretable Machine Learning of Chemical Bonding at Solid Surfaces. November 18, 2021
Chemistry | Quantum dynamics Efficient prediction for high precision CO-N potential energy surface by stacking ensemble DNN. November 17, 2021
Bioinformatics | Chemistry | Pharmacology Deep Neural Network Pretrained by Weighted Autoencoders and Transfer Learning for Retention Time Prediction of Small Molecules. November 15, 2021
Chemistry | Nanotechnology | Physics Multiple solution solving in plasmon sensing by deep learning: determination of a layer refractive index and thickness in one experiment. November 15, 2021
Chemistry | Molecular Dynamics Automated Construction of Neural Network Potential Energy Surface: The Enhanced Self-Organizing Incremental Neural Network Deep Potential Method. November 9, 2021
Chemistry | Computational Chemistry | Machine Learning Machine Learning of Reaction Properties via Learned Representations of the Condensed Graph of Reaction. November 4, 2021