Chemistry | Drug Development | Environmental Science Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide. July 14, 2023
Chemistry | Materials Science | Physics Structural transformations in single-crystalline AgPd nanoalloys from multiscale deep potential molecular dynamics. July 10, 2023
Analytical Chemistry | Chemistry | Food Science Au-Ag OHCs-based SERS sensor coupled with deep learning CNN algorithm to quantify thiram and pymetrozine in tea. July 9, 2023
Automation | Chemistry | Industrial Engineering Real-Time Automated Solubility Screening Method Using Deep Neural Networks with Handcrafted Features. July 8, 2023
Chemistry | Deep Learning | Environmental Science Oil species identification based on fluorescence excitation-emission matrix and transformer-based deep learning. June 30, 2023
Chemistry | Computational Science Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials. June 30, 2023
Biology | Chemistry | Molecular Dynamics An Efficient Path Classification Algorithm Based on Variational Autoencoder to Identify Metastable Path Channels for Complex Conformational Changes. June 29, 2023
Analytical Chemistry | Chemistry Monitoring of Chlorpyrifos Residues in Corn Oil Based on Raman Spectral Deep-Learning Model. June 28, 2023
Chemistry | Materials Science | Physics Halide Vacancies Create No Charge Traps on Lead Halide Perovskite Surfaces but Can Generate Deep Traps in the Bulk. June 23, 2023
Chemistry | Drug Discovery | Precision Medicine An end-to-end deep learning framework for translating mass spectra to de-novo molecules. June 23, 2023
Chemistry | Materials Science Surface Chemistry of Lead Halide Perovskite Colloidal Nanocrystals. June 22, 2023
Chemistry | Pharmaceutical Sciences A Simple Way to Incorporate Target Structural Information in Molecular Generative Models. June 15, 2023