Improved Solubility Predictions in scCO2 Using Thermodynamics - Informed Machine Learning Models
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Datasets and pre-calculated CDK descriptors for scCO2 solubility prediction models. Machine learning models: https://github.com/MDMISC/Solubility_scCO2/ Citation: Dmitriy M. Makarov, Nikolai N. Kalikin, Yury A. Budkov, Pavel Gurikov, Sergey E. Kruchinin, Abolghasem Jouyban, and Michael G. Kiselev Improved Solubility Predictions in scCO2 Using Thermodynamics-Informed Machine Learning Models J. Chem. Inf. Model. https://doi.org/10.1021/acs.jcim.5c00432
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Zenodo创建时间：
2025-04-17
