Feature selection process. حسب Balraj Preet Kaur (20370832)

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

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

الموضوعات:

Data_Sheet_1_A Global Optimizer for Nanoclusters.PDF حسب Maya Khatun (7437011)

"…This method is implemented in PyAR (https://github.com/anooplab/pyar) program. The global optimization in PyAR involves two parts, generation of several trial geometries and gradient-based local optimization of the trial geometries. …"

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.…"

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.…"