Chemistry | Material Science Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons. January 25, 2023
Chemistry | Pharmacology QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. January 25, 2023
Analytical Chemistry | Chemistry Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization-Mass Spectrometry. January 25, 2023
Chemistry | Food Science Determination of the lactose content in low-lactose milk using Fourier-transform infrared spectroscopy (FTIR) and convolutional neural network. January 23, 2023
Chemistry | Materials Science | Nanotechnology Automated classification of nanoparticles with various ultrastructures and sizes via deep learning. January 22, 2023
Bioinformatics | Chemistry | Pharmacology PETrans: De Novo Drug Design with Protein-Specific Encoding Based on Transfer Learning. January 21, 2023
Bioinformatics | Chemistry | Pharmacology Neural Networks in the Design of Molecules with Affinity to Selected Protein Domains. January 21, 2023
Biomedical Engineering | Chemistry | Pharmaceutical Science Structural Analysis and Classification of Low-Molecular-Weight Hyaluronic Acid by Near-Infrared Spectroscopy: A Comparison between Traditional Machine Learning and Deep Learning. January 21, 2023
Chemistry Series fusion of scatter correction techniques coupled with deep convolution neural network as a promising approach for NIR modeling. January 20, 2023
Chemistry | Fuel Cell Technology | Material Science Deep Learning to Reveal the Distribution and Diffusion of Water Molecules in Fuel Cell Catalyst Layers. January 18, 2023
Chemistry TFRegNCI: Interpretable Noncovalent Interaction Correction Multimodal Based on Transformer Encoder Fusion. January 18, 2023