Chemistry | Materials Science Probing Electron Beam Induced Transformations on a Single-Defect Level via Automated Scanning Transmission Electron Microscopy. October 26, 2022
Chemistry | Pharmaceutical Sciences Improving molecular property prediction through a task similarity enhanced transfer learning strategy. October 25, 2022
Bioinformatics | Chemistry Enabling data-limited chemical bioactivity predictions through deep neural network transfer learning. October 22, 2022
Chemical Engineering | Chemistry Advancing molecular graphs with descriptors for the prediction of chemical reaction yields. October 20, 2022
Agriculture | Chemistry | Food Science | Machine Learning Rapidly detecting fennel origin of the near-infrared spectroscopy based on extreme learning machine. October 20, 2022
Bioinformatics | Chemistry | Pharmacology Interpretable Machine Learning Models for Molecular Design of Tyrosine Kinase Inhibitors Using Variational Autoencoders and Perturbation-Based Approach of Chemical Space Exploration. October 19, 2022
Chemistry | Pharmacology Conformer-RL: A deep reinforcement learning library for conformer generation. October 19, 2022
Catalysis | Chemistry | Materials Science Discerning the Contributions of Gold Species in Butadiene Hydrogenation: From Single Atoms to Nanoparticles. October 17, 2022
Chemistry | Machine Learning | Materials Science Deep Learning Models for Predicting Gas Adsorption Capacity of Nanomaterials. October 17, 2022
Chemistry | Food Science | Machine Learning Deep quantification of a refined adulterant blended into pure avocado oil. October 16, 2022
Biophotonics | Chemistry Fingerprint multiplex CARS at high speed based on supercontinuum generation in bulk media and deep learning spectral denoising. October 15, 2022
Chemistry | Pharmacology MolRoPE-BERT: An enhanced molecular representation with Rotary Position Embedding for molecular property prediction. October 15, 2022