Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب Se-Hee Jo (20554623)

الموضوعات:

Datasets and their properties. حسب Olaide N. Oyelade (14047002)

Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction حسب Raul A. Flores (2910539)

"…We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.…"

Machine Learning-Ready Dataset for Cytotoxicity Prediction of Metal Oxide Nanoparticles حسب Soham Savarkar (21811825)

"…Details on the data sourcing process, prompt engineering strategies for large language model (LLM)-based extraction, and validation protocols are provided in the Supplementary Information section.…"