Chemistry | Material Science Estimating the phase diagrams of deep eutectic solvents within an extensive chemical space. February 12, 2024
Chemistry | Molecular Dynamics Implementation and Validation of an OpenMM Plugin for the Deep Potential Representation of Potential Energy. February 10, 2024
Agrochemistry | Chemistry | Drug Discovery | Food Chemistry | Natural Product Research The pursuit of accurate predictive models of the bioactivity of small molecules. February 9, 2024
Chemistry | Materials Science Effect of electric fields on tungsten distribution in NaWO-WO molten salt. February 9, 2024
Chemistry | Machine Learning | Wine science Deep reinforcement learning classification of sparkling wines based on ICP-MS and DOSY NMR spectra. February 8, 2024
Artificial Intelligence | Chemistry | Olfactory Science Data-centric artificial olfactory system based on the eigengraph. February 8, 2024
Chemistry | Materials Science Porous carbon film/WO nanosheets based SERS substrate combined with deep learning technique for molecule detection. February 3, 2024
Chemistry | Machine Learning Leveraging DFT and Molecular Fragmentation for Chemically Accurate p Prediction Using Machine Learning. February 1, 2024
Chemistry | Materials Science The prediction of single-molecule magnet properties via deep learning. February 1, 2024
Biomedical Engineering | Chemistry | Materials Science Deep-Learning-Assisted Discriminative Detection of Vitamin B and Vitamin B by Fluorescent MoSe Quantum Dots. January 31, 2024
Chemistry | Computer Science Comprehensive image dataset for enhancing object detection in chemical experiments. January 31, 2024
Bioinformatics | Chemistry | Toxicology Screening of the Antagonistic Activity of Potential Bisphenol A Alternatives toward the Androgen Receptor Using Machine Learning and Molecular Dynamics Simulation. January 31, 2024