Chemistry | Materials Science Transfer Learning Facilitates the Prediction of Polymer-Surface Adhesion Strength. April 17, 2023
Chemistry Enhanced Sampling for Free Energy Profiles with Post-Transition-State Bifurcations. April 17, 2023
Chemistry | Materials Science Machine learning and polymer self-consistent field theory in two spatial dimensions. April 15, 2023
Chemistry | Material Science | Nanoengineering Chirality Analysis of Complex Microparticles using Deep Learning on Realistic Sets of Microscopy Images. April 14, 2023
Chemistry | Machine Learning | Pharmacology MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning. April 14, 2023
Chemistry | Machine Learning | Materials Science Geometric Deep Learning for Molecular Crystal Structure Prediction. April 13, 2023
Chemistry | Electrochemistry | Materials Science Improving Oxygen Reduction Performance of Surface-Layer-Controlled Pt-Ni Nano-Octahedra via Gaseous Etching. April 11, 2023
Chemistry | Data Science | Environmental Science Prediction and Structure-Activity Relationship Analysis on Ready Biodegradability of Chemical Using Machine Learning Method. April 5, 2023
Chemistry | Food Science Generating Flavor Molecules Using Scientific Machine Learning. April 3, 2023
Chemistry | Materials Science | Physics Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments. April 1, 2023
Chemistry | Geology Electron transfer rules of minerals under pressure informed by machine learning. March 31, 2023
Chemistry | Material Science Design of a self-cleanable multilevel anticounterfeiting interface through covalent chemical modulation. March 31, 2023