Chemistry | Materials Science Predicting Emission of Heteroleptic Iridium Complexes using Artificial Chemical Intelligence. May 16, 2024
Catalysis | Chemistry | Materials Science Revealing the reconstruction mechanism of AgPd nanoalloys under fluorination based on a multiscale deep learning potential. May 15, 2024
Chemistry | Computational Chemistry | Molecular Biology Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach. May 15, 2024
Biomedical Engineering | Chemistry Exploring the purity of chitin from crustacean sources using deep eutectic solvents: A machine learning approach. May 14, 2024
Analytical Chemistry | Chemistry | Pharmacology Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method. May 13, 2024
Biochemistry | Biotechnology | Chemistry Accurate prediction of hyaluronic acid concentration under temperature perturbations using near-infrared spectroscopy and deep learning. May 11, 2024
Chemistry | Neurology | Pharmacology Application of Deep Learning for Studying NMDA Receptors. May 10, 2024
Artificial Intelligence | Chemistry | Materials Science Molecular Autonomous Pathfinder Using Deep Reinforcement Learning. May 9, 2024
Chemical Engineering | Chemistry | Data Science Trends in artificial intelligence, machine learning, and chemometrics applied to chemical data. May 8, 2024
Chemistry | Public Health | Toxicology Forecasting vaping health risks through neural network model prediction of flavour pyrolysis reactions. May 8, 2024
Chemistry | Pharmacology De novo generation of multi-target compounds using deep generative chemistry. May 6, 2024
Chemistry | Environmental Science Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents. May 6, 2024