Chemistry | Pharmacology | Toxicology Prediction of molecular-specific mutagenic alerts and related mechanisms of chemicals by a convolutional neural network (CNN) model based on SMILES split. January 29, 2024
Chemistry | Energy Storage | Materials Science Trace topological doping strategy and deep learning to reveal high-rate sodium storage regulation of barium-doped NaV(PO). January 29, 2024
Chemistry | Physics Mixtures Recomposition by Neural Nets: A Multidisciplinary Overview. January 29, 2024
Chemistry | Machine Learning | Materials Science Gas adsorption meets deep learning: voxelizing the potential energy surface of metal-organic frameworks. January 26, 2024
Biotechnology | Chemistry Realization of qualitative to semi-quantitative trace detection via SERS-ICA based on internal standard method. January 26, 2024
Chemistry | Computer Science | Materials Science Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery. January 25, 2024
Analytical Chemistry | Chemistry | Environmental Science Determination of Trace Organic Contaminant Concentration via Machine Classification of Surface-Enhanced Raman Spectra. January 25, 2024
Bioinformatics | Chemistry | Computer Science | Pharmaceutical Sciences AutoMolDesigner for Antibiotic Discovery: An AI-Based Open-Source Software for Automated Design of Small-Molecule Antibiotics. January 24, 2024
Artificial Intelligence | Chemical Engineering | Chemistry Enhancing chemical synthesis: a two-stage deep neural network for predicting feasible reaction conditions. January 24, 2024
Chemistry | Materials Science Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution? January 23, 2024
Chemistry | Engineering | Materials Science Theoretical Prediction of Thermal Expansion Anisotropy for YSiO Environmental Barrier Coatings Using a Deep Neural Network Potential and Comparison to Experiment. January 23, 2024
Bioimaging | Chemistry | Materials Science Revealing microscopic dynamics: liquid-phase TEM for live observations of soft materials and quantitative analysis deep learning. January 18, 2024