• Seminar

Prediction of drug solubility in supercritical CO2

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http://chem-predictor.isc-ras.ru/app/uploads/2023/11/2.1-solubility-co2.mp4


This model was created as part of a project funded by the Russian Science Foundation (22-13-00257).

If you are using the model in your research, please cite:

Makarov, D. M., Kalikin, N. N., & Budkov, Y. A. (2024). Prediction of Drug-like Compounds Solubility in Supercritical Carbon Dioxide: A Comparative Study between Classical Density Functional Theory and Machine Learning Approaches. Industrial & Engineering Chemistry Research.

For all technical questions: Mikhail Lukanov, George Sysuev
Laboratory head: Alexander Ksenofontov