Chemistry | Materials Science | Nanotechnology Revisiting El-Sayed Synthesis: Bayesian Optimization for Revealing New Insights during the Growth of Gold Nanorods. April 29, 2024
Bioinformatics | Chemistry | Data Science MassDash: A Web-Based Dashboard for Data-Independent Acquisition Mass Spectrometry Visualization. April 29, 2024
Chemistry | Computer Science | Pharmacology NIMO: A Natural Product-Inspired Molecular Generative Model Based on Conditional Transformer. April 27, 2024
Chemistry | Material Science | Spectroscopy Deep learning-based Raman spectroscopy qualitative analysis algorithm: A convolutional neural network and transformer approach. April 27, 2024
Biochemistry | Chemistry | Pharmaceutical Sciences Artificial Intelligence-Assisted Optimization of Antipigmentation Tyrosinase Inhibitors: Molecular Generation Based on a Low Activity Lead Compound. April 23, 2024
Chemistry | Optoelectronics Deep learning prediction of triplet-triplet annihilation parameters in blue fluorescent organic light-emitting diodes. April 23, 2024
Chemistry Learning symmetry-aware atom mapping in chemical reactions through deep graph matching. April 22, 2024
Chemistry | Computer Science | Physics Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data. April 20, 2024
Biotechnology | Chemistry | Food Science Ratiometric fluorescence sensor based on deep learning for rapid and user-friendly detection of tetracycline antibiotics. April 19, 2024
Chemistry | Toxicology Classification of substances by health hazard using deep neural networks and molecular electron densities. April 16, 2024
Chemistry | Electronic Engineering | Materials Science Precise Regulation on the Bond Dissociation Energy of Exocyclic C-N Bonds in Various N-Heterocycle Electron Donors via Machine Learning. April 16, 2024