Data and code used in:
"An Integrated High-throughput Robotic Platform and Active Learning Approach for Accelerated Discovery of Optimal Electrolyte Formulations"
Juran Noh, Hieu A. Doan, Heather Job, Lily A. Robertson, Lu Zhang, Rajeev S. Assary, Karl Mueller, Vijayakumar Murugesan, and Yangang Liang. Nat Commun 15, 2757 (2024). https://doi.org/10.1038/s41467-024-47070-5
- BTZ_solubility_20C_singleAndBinarySolvents.xlsx: Tabulated solubilities of BTZ in 218 solvents (including SMILES representations and volumetric ratios)
- BTZ-BinarySolvents-features.csv: Generated features for the binary solvent search space
- BTZ-BinarySolvents-ExpResults.csv: Training data for Bayesian optimization
- BTZ-binarySolvents-productionRun.ipynb: Jupyter notebook for executing Bayesian optimization loops