Chemistry | Material Science Non-Specific Responsive Nanogels and Plasmonics to Design MathMaterial Sensing Interfaces: The Case of a Solvent Sensor. December 23, 2022
Artificial Intelligence | Chemistry | Military Technology Distributed Raman Spectrum Data Augmentation System Using Federated Learning with Deep Generative Models. December 23, 2022
Chemistry | Pharmaceutical Sciences Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media. December 23, 2022
Bioinformatics | Chemistry | Computational Biology Machine learning models to predict sweetness of molecules. December 21, 2022
Chemistry | Material Science | Physics Atomic structure of intermetallic compound Nb5Si3 by new cluster transformation analysis method. December 20, 2022
Chemistry | Materials Science | Physics Deep-learning framework for fully-automated recognition of TiO polymorphs based on Raman spectroscopy. December 19, 2022
Chemistry | Machine Learning | Molecular Biology Fusing 2D and 3D molecular graphs as unambiguous molecular descriptors for conformational and chiral stereoisomers. December 18, 2022
Analytical Chemistry | Chemistry Deep learning approach to overcome signal fluctuations in SERS for efficient On-Site trace explosives detection. December 15, 2022
Biochemistry | Chemistry Solvation structures of calcium and magnesium ions in water with the presence of hydroxide: a study by deep potential molecular dynamics. December 15, 2022
Chemistry | Drug Discovery | Pharmacology HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention. December 15, 2022
Chemistry | Materials Science An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. December 11, 2022
Chemistry | Materials Science Deep-Learning Pipeline for Statistical Quantification of Amorphous Two-Dimensional Materials. December 9, 2022