Chemistry | Chromatography Deep reinforcement learning for the direct optimization of gradient separations in liquid chromatography. March 5, 2024
Biochemistry | Chemistry | Molecular Biology Fragment-Based Deep Learning for Simultaneous Prediction of Polarizabilities and NMR Shieldings of Macromolecules and Their Aggregates. March 5, 2024
Analytical Science | Chemistry | Nanotechnology Nanozyme-induced deep learning-assisted smartphone integrated colorimetric and fluorometric dual-mode for detection of tetracycline analogs. March 4, 2024
Chemistry | Materials Science Graph Neural Network-Accelerated Multitasking Genetic Algorithm for Optimizing PdTiH Surfaces under Various CO Reduction Reaction Conditions. March 4, 2024
Chemistry | Drug Discovery | Pharmacology Optimization of binding affinities in chemical space with generative pre-trained transformer and deep reinforcement learning. March 4, 2024
Art History | Chemistry | Material Science Jewelry rock discrimination as interpretable data using laser-induced breakdown spectroscopy and a convolutional LSTM deep learning algorithm. March 2, 2024
Chemistry | Materials Science Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. March 1, 2024
Chemistry Improving chemical reaction yield prediction using pre-trained graph neural networks. March 1, 2024
Artificial Intelligence | Chemistry | Pesticide Discovery Discovery of Potential Neonicotinoid Insecticides by an Artificial Intelligence Generative Model and Structure-Based Virtual Screening. February 29, 2024
Chemistry | Materials Science Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules Using Convolutional Neural Networks. February 29, 2024
Chemistry | Food Science Rapid classification of coffee origin by combining mass spectrometry analysis of coffee aroma with deep learning. February 27, 2024
Chemical Engineering | Chemistry | Machine Learning Prediction of chemical reaction yields with large-scale multi-view pre-training. February 25, 2024