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Information × Registration Number 0219U003687, 0117U004135 , R & D reports Title Prediction of intermolecular interaction potentials' parameters based on QSPR analysis of the thermodynamic properties of various organic compounds and their binary mixtures popup.stage_title Head Nedostup Vadim Ioannovich, Registration Date 08-02-2019 Organization A.V. Bogatsky, Physico-Chemical Institute of the National Academy of Sciences of Ukraine popup.description2 For various organic substances and their binary mixtures a) databases of the second virial coefficients are generated b) QSPR models were developed for prediction of second virial coefficients; c) an expert system was formed on the basis of the QSPR models for the virtual screening of these thermodynamic properties. Product Description popup.authors Артеменко Анатолій Григорович Кузьмін Віктор Євгенович Кулінський Максим Олександрович Михайлова Тетяна Вікторовна Огніченко Людмила Миколаївна Хромов Олександр Іванович popup.nrat_date 2020-04-02 Close