Chemistry | Pharmaceutical Sciences STAGAN: An approach for improve the stability of molecular graph generation based on generative adversarial networks. November 17, 2023
Chemistry | Materials Science SEMPro: A Data-Driven Pipeline To Learn Structure-Property Insights from Scanning Electron Microscopy Images. November 16, 2023
Chemistry | Drug design | Pharmacology A flexible data-free framework for structure-based drug design with reinforcement learning. November 16, 2023
Chemistry | Materials Science Efficient Molecular Dynamics Simulations of Deep Eutectic Solvents with First-Principles Accuracy Using Machine Learning Interatomic Potentials. November 16, 2023
Chemistry | Energy Storage | Material Science Advancing energy storage through solubility prediction: leveraging the potential of deep learning. November 15, 2023
Chemistry | Computer Science | Materials Science Deep Learning Enables Rapid Identification of a New Quasicrystal from Multiphase Powder Diffraction Patterns. November 15, 2023
Agricultural Science | Chemistry | Food Safety Rapid detection of residual chlorpyrifos and pyrimethanil on fruit surface by surface-enhanced Raman spectroscopy integrated with deep learning approach. November 14, 2023
Chemistry | Food Science Deep-Learning-Based Mixture Identification for Nuclear Magnetic Resonance Spectroscopy Applied to Plant Flavors. November 14, 2023
Artificial Intelligence | Chemistry | Food Science Design of an Artificial Intelligence of Things-Based Sesame Oil Evaluator for Quality Assessment Using Gas Sensors and Deep Learning Mechanisms. November 14, 2023
Chemistry | Computer Science MolNet_Equi: A Chemically Intuitive, Rotation-Equivariant Graph Neural Network. November 13, 2023
Chemistry | Computer Science | Materials Science Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance. November 10, 2023
Biology | Chemistry Deep-Learning-Assisted Enhanced Sampling for Exploring Molecular Conformational Changes. November 10, 2023